Exact Mass: 441.12123140000006

Exact Mass Matches: 441.12123140000006

Found 192 metabolites which its exact mass value is equals to given mass value 441.12123140000006, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Folic acid

FOLVITE(Thomson.Micromedex. Drug Information for the Health Care Professional. 24th ed. Volume 1. Plus Updates. Content Reviewed by the United States Pharmacopeial Convention, Inc. Greenwood Village, CO. 2004., p. 1422)

C19H19N7O6 (441.1396754)


Folic acid appears as odorless orange-yellow needles or platelets. Darkens and chars from approximately 482 °F. Folic acid is an N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation. It has a role as a human metabolite, a nutrient and a mouse metabolite. It is a member of folic acids and a N-acyl-amino acid. It is functionally related to a pteroic acid. It is a conjugate acid of a folate(2-). Folic acid, also known as folate or Vitamin B9, is a member of the B vitamin family and an essential cofactor for enzymes involved in DNA and RNA synthesis. More specifically, folic acid is required by the body for the synthesis of purines, pyrimidines, and methionine before incorporation into DNA or protein. Folic acid is particularly important during phases of rapid cell division, such as infancy, pregnancy, and erythropoiesis, and plays a protective factor in the development of cancer. As humans are unable to synthesize folic acid endogenously, diet and supplementation is necessary to prevent deficiencies. For example, folic acid is present in green vegetables, beans, avocado, and some fruits. In order to function within the body, folic acid must first be reduced by the enzyme dihydrofolate reductase (DHFR) into the cofactors dihydrofolate (DHF) and tetrahydrofolate (THF). This important pathway, which is required for de novo synthesis of nucleic acids and amino acids, is disrupted by anti-metabolite therapies such as [DB00563] as they function as DHFR inhibitors to prevent DNA synthesis in rapidly dividing cells, and therefore prevent the formation of DHF and THF. When used in high doses such as for cancer therapy, or in low doses such as for Rheumatoid Arthritis or psoriasis, [DB00563] impedes the bodys ability to create folic acid. This results in a deficiency of coenzymes and a resultant buildup of toxic substances that are responsible for numerous adverse side effects. As a result, supplementation with 1-5mg of folic acid is recommended to prevent deficiency and a number of side effects associated with MTX therapy including mouth ulcers and gastrointestinal irritation. [DB00650] (also known as folinic acid) supplementation is typically used for high-dose MTX regimens for the treatment of cancer. Levoleucovorin and leucovorin are analogs of tetrahydrofolate (THF) and are able to bypass DHFR reduction to act as a cellular replacement for the co-factor THF. There are also several antiepileptic drugs (AEDs) that are associated with reduced serum and red blood cell folate, including [DB00564] (CBZ), [DB00252] (PHT), or barbiturates. Folic acid is therefore often provided as supplementation to individuals using these medications, particularly to women of child-bearing age. Inadequate folate levels can result in a number of health concerns including cardiovascular disease, megaloblastic anemias, cognitive deficiencies, and neural tube defects (NTDs). Folic acid is typically supplemented during pregnancy to prevent the development of NTDs and in individuals with alcoholism to prevent the development of neurological disorders, for example. Folic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). CID 6037 is a natural product found in Beta vulgaris, Angelica sinensis, and other organisms with data available. Folic Acid is a collective term for pteroylglutamic acids and their oligoglutamic acid conjugates. As a natural water-soluble substance, folic acid is involved in carbon transfer reactions of amino acid metabolism, in addition to purine and pyrimidine synthesis, and is essential for hematopoiesis and red blood cell production. (NCI05) A member of the vitamin B family that stimulates the hematopoietic system. It is present in the liver and kidney and is found in mushrooms, spinach, yeast, green leaves, and grasses (POACEAE). Folic acid is used in the treat... Folic acid or folate, is a vitamin that belongs to the class of compounds known as pterins. Chemically, folate consists of three distinct chemical moieties linked together. A pterin (2-amino-4-hydroxy-pteridine) linked by a methylene bridge to a p-aminobenzoyl group that in turn is linked through an amide linkage to glutamic acid. It is a member of the vitamin B family and is primarily known as vitamin B9. Folate is required for the body to make DNA and RNA and metabolize amino acids necessary for cell division for the hematopoietic system. As humans cannot make folate, it is required in the diet, making it an essential nutrient (i.e. a vitamin). Folate occurs naturally in many foods including mushrooms, spinach, yeast, green leaves, and grasses (poaceae). Folic acid, being biochemically inactive, is converted to tetrahydrofolic acid and methyltetrahydrofolate by the enzyme known as dihydrofolate reductase. Tetrahydrofolate and methyltetrahydrofolate are transported across cells by receptor-mediated endocytosis where they are needed to maintain normal erythropoiesis, synthesize purine and thymidylate nucleic acids, interconvert amino acids and generate formic acid. Folic acid is used in the treatment and prevention of folate deficiencies and megaloblastic anemia. Folic acid is also used as a supplement by women during pregnancy to reduce the risk of neural tube defects (NTDs) in babies. Low levels in early pregnancy are believed to be the cause of more than half of babies born with NTDs (PMID: 28097362). Folic acid is also a microbial metabolite produced by Bifidobacterium and Lactobacillus (PMID: 22254078). An N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation. B - Blood and blood forming organs > B03 - Antianemic preparations > B03B - Vitamin b12 and folic acid > B03BB - Folic acid and derivatives COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D006397 - Hematinics D018977 - Micronutrients > D014815 - Vitamins V - Various > V04 - Diagnostic agents Dietary supplement Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Formula(Parent): C19H19N7O6; Bottle Name:Folic acid ,approx; PRIME Parent Name:Folic acid; PRIME in-house No.:V0080; SubCategory_DNP: Pteridines and analogues, Pteridine alkaloids Acquisition and generation of the data is financially supported in part by CREST/JST. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.543 CONFIDENCE standard compound; INTERNAL_ID 134 Folic acid (Vitamin B9) is a orally active essential nutrient from the B complex group of vitamins. Folic acid shows antidepressant-like effect. Folic acid sodium reduces the risk of neonatal neural tube defects. Folic acid can be used to the research of megaloblastic and macrocytic anemias due to folic deficiency[1][2][3][4]. Folic acid (Vitamin B9) is a orally active essential nutrient from the B complex group of vitamins. Folic acid shows antidepressant-like effect. Folic acid sodium reduces the risk of neonatal neural tube defects. Folic acid can be used to the research of megaloblastic and macrocytic anemias due to folic deficiency[1][2][3][4].

   

Dofetilide

N-[4-(2-{[2-(4-methanesulfonamidophenyl)ethyl](methyl)amino}ethoxy)phenyl]methanesulfonamide

C19H27N3O5S2 (441.1392052)


Dofetilide is a class III antiarrhythmic agent that is approved by the Food and Drug Administration (FDA) for the maintenance of sinus rhythm in individuals prone to the formation of atrial fibrillation and flutter, and for the chemical cardioversion to sinus rhythm from atrial fibrillation and flutter. [Wikipedia] C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BD - Antiarrhythmics, class iii C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

   

Imidapril hydrochloride

Imidapril (hydrochloride)

C20H28ClN3O6 (441.16665380000006)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents

   

Nebivolol HCl

rac Nebivolol hydrochloride

C22H26ClF2NO4 (441.1518330000001)


D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Nebivolol (R 065824) hydrochloride is an orally active beta receptor blocker and has the high beta(1)-receptor affinity.Nebivolol hydrochloride has direct vasodilator properties and adrenergic blocking characteristics. Nebivolol hydrochloride can be used for the research of kinds of diseases such as hypertension, coronary artery disease, congestive heart failure and ischemic heart disease[1][2].

   

Prostaphlin

oxacillin sodium monohydrate

C19H20N3NaO6S (441.0970460000001)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

troglitazone

5-[[4-[(3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazlidinedione

C24H27NO5S (441.1609852000001)


A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D007004 - Hypoglycemic Agents CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5234; ORIGINAL_PRECURSOR_SCAN_NO 5232 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5241; ORIGINAL_PRECURSOR_SCAN_NO 5238 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5206; ORIGINAL_PRECURSOR_SCAN_NO 5205 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5244; ORIGINAL_PRECURSOR_SCAN_NO 5241 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5240; ORIGINAL_PRECURSOR_SCAN_NO 5238 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5233; ORIGINAL_PRECURSOR_SCAN_NO 5232 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9800; ORIGINAL_PRECURSOR_SCAN_NO 9795 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9806; ORIGINAL_PRECURSOR_SCAN_NO 9803 Troglitazone is an orally active PPARγ agonist, with EC50s of 550 nM and 780 nM for human and murine?PPARγ receptor, respectively. Troglitazone has anticancer activity, prevents and inhibits the development of type 2 diabetes.

   

Mandelonitrile rutinoside

2-phenyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]acetonitrile

C20H27NO10 (441.1634882000001)


Mandelonitrile rutinoside is found in fruits. Mandelonitrile rutinoside is a constituent of the fruit of purple passion fruit (Passiflora edulis). Constituent of the fruit of purple passion fruit (Passiflora edulis). Mandelonitrile rutinoside is found in fruits.

   

Temelastine

2-{[4-(5-bromo-3-methylpyridin-2-yl)butyl]amino}-5-[(6-methylpyridin-3-yl)methyl]-3,4-dihydropyrimidin-4-one

C21H24BrN5O (441.1164114)


D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Temelastine is a second-generation H1-antihistamine.

   

3-(4-Acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

3-(4-Acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

C19H18F3N3O6 (441.1147644)


   

Folcidin

2-[(4-{[(4-hydroxy-2-imino-1,2-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate

C19H19N7O6 (441.1396754)


   

troglitazone

5-({4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione

C24H27NO5S (441.1609852000001)


A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D007004 - Hypoglycemic Agents Troglitazone is an orally active PPARγ agonist, with EC50s of 550 nM and 780 nM for human and murine?PPARγ receptor, respectively. Troglitazone has anticancer activity, prevents and inhibits the development of type 2 diabetes.

   

4-Hydroxy-5-[[4-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-({4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy]phenyl}methyl)-2,3-dihydro-1,3-thiazol-2-one

C24H27NO5S (441.1609852000001)


   

7,8-dihydrofolate

4-Carboxy-4-[(4-{[(2-imino-4-oxido-1,2,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]butanoic acid

C19H19N7O6 (441.1396754)


7,8-dihydrofolate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 7,8-dihydrofolate can be found in a number of food items such as pineapple, common verbena, pear, and citrus, which makes 7,8-dihydrofolate a potential biomarker for the consumption of these food products.

   

Alpelisib

(2S)-N1-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboximidic acid

C19H22F3N5O2S (441.14462280000004)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EM - Phosphatidylinositol-3-kinase (pi3k) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor

   
   

Aristolactam IIIa N-beta-glucoside

Aristolactam IIIa N-beta-glucoside

C22H19NO9 (441.10597640000003)


   

Aristolactam Ia N-beta-glucoside

Aristolactam Ia N-beta-D-glucopyranoside

C22H19NO9 (441.10597640000003)


   
   
   
   

10-(beta-D-glucopyranosyloxy)-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one|aristololactam IIIa 6-(beta-D-glucopyranoside)|manshurienine A

10-(beta-D-glucopyranosyloxy)-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one|aristololactam IIIa 6-(beta-D-glucopyranoside)|manshurienine A

C22H19NO9 (441.10597640000003)


   

4,5-dihydro-1,4-di(1H-indol-3-yl)furo[3,2:3,4]cyclopent[1,2-b]indol-2-(3alphaH)-one|malasseziacitrin

4,5-dihydro-1,4-di(1H-indol-3-yl)furo[3,2:3,4]cyclopent[1,2-b]indol-2-(3alphaH)-one|malasseziacitrin

C29H19N3O2 (441.1477194)


   
   

O1-(6-sulfanilylamino-[3]pyridyl)-beta-D-glucopyranuronic acid|O1-(6-Sulfanilylamino-[3]pyridyl)-beta-D-glucopyranuronsaeure

O1-(6-sulfanilylamino-[3]pyridyl)-beta-D-glucopyranuronic acid|O1-(6-Sulfanilylamino-[3]pyridyl)-beta-D-glucopyranuronsaeure

C17H19N3O9S (441.0841964)


   
   

4-[(beta-D-glucopyranosyl)-(1->3)-(alpha-L-rhamnopyranosyl)]phenylacetonitrile

4-[(beta-D-glucopyranosyl)-(1->3)-(alpha-L-rhamnopyranosyl)]phenylacetonitrile

C20H27NO10 (441.1634882000001)


   

O-(2-acetamido-2-deoxy-beta-D-galactosyl)-(1->5)-3-deoxy-D-manno-octulosonic acid

O-(2-acetamido-2-deoxy-beta-D-galactosyl)-(1->5)-3-deoxy-D-manno-octulosonic acid

C16H27NO13 (441.1482332)


   

9-chloro-10b,11-dihydroxy-7,8-dimethoxy-2-methyl-3-methylene-11a-methylsulfanyl-2,3,6,10b,11,11a-hexahydro-5aH-pyrazino[1,2:1,5]pyrrolo[2,3-b]indole-1,4-dione|Sporidesmin F

9-chloro-10b,11-dihydroxy-7,8-dimethoxy-2-methyl-3-methylene-11a-methylsulfanyl-2,3,6,10b,11,11a-hexahydro-5aH-pyrazino[1,2:1,5]pyrrolo[2,3-b]indole-1,4-dione|Sporidesmin F

C18H20ClN3O6S (441.0761290000001)


   

(7E)-Rubransarol|(7Z)-Rubransarol

(7E)-Rubransarol|(7Z)-Rubransarol

C23H23NO8 (441.1423598)


   
   

8-(beta-D-glucopyranosyloxy)-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one|aristolactam Ia 8-beta-D-glucoside|aristololactam Ia 8-(beta-D-glucopyranoside)|manshurienine B

8-(beta-D-glucopyranosyloxy)-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one|aristolactam Ia 8-beta-D-glucoside|aristololactam Ia 8-(beta-D-glucopyranoside)|manshurienine B

C22H19NO9 (441.10597640000003)


   
   
   
   
   
   

Dofetilide

Dofetilide (Tikosyn)

C19H27N3O5S2 (441.1392052)


C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BD - Antiarrhythmics, class iii C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

   

Folic acid

Folic acid ,approx

C19H19N7O6 (441.1396754)


CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2727; ORIGINAL_PRECURSOR_SCAN_NO 2725 B - Blood and blood forming organs > B03 - Antianemic preparations > B03B - Vitamin b12 and folic acid > B03BB - Folic acid and derivatives COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D006397 - Hematinics D018977 - Micronutrients > D014815 - Vitamins V - Various > V04 - Diagnostic agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2742; ORIGINAL_PRECURSOR_SCAN_NO 2740 CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2705; ORIGINAL_PRECURSOR_SCAN_NO 2702 CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2726; ORIGINAL_PRECURSOR_SCAN_NO 2724 CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2724; ORIGINAL_PRECURSOR_SCAN_NO 2722 CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2722; ORIGINAL_PRECURSOR_SCAN_NO 2720 CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5826; ORIGINAL_PRECURSOR_SCAN_NO 5821 CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5819; ORIGINAL_PRECURSOR_SCAN_NO 5814 Folic acid (Vitamin B9) is a orally active essential nutrient from the B complex group of vitamins. Folic acid shows antidepressant-like effect. Folic acid sodium reduces the risk of neonatal neural tube defects. Folic acid can be used to the research of megaloblastic and macrocytic anemias due to folic deficiency[1][2][3][4]. Folic acid (Vitamin B9) is a orally active essential nutrient from the B complex group of vitamins. Folic acid shows antidepressant-like effect. Folic acid sodium reduces the risk of neonatal neural tube defects. Folic acid can be used to the research of megaloblastic and macrocytic anemias due to folic deficiency[1][2][3][4].

   

Folic acid; LC-tDDA; CE10

Folic acid; LC-tDDA; CE10

C19H19N7O6 (441.1396754)


   

Folic acid; LC-tDDA; CE20

Folic acid; LC-tDDA; CE20

C19H19N7O6 (441.1396754)


   

Folic acid; LC-tDDA; CE30

Folic acid; LC-tDDA; CE30

C19H19N7O6 (441.1396754)


   

Folic acid; LC-tDDA; CE40

Folic acid; LC-tDDA; CE40

C19H19N7O6 (441.1396754)


   

Folic acid; AIF; CE0; CorrDec

Folic acid; AIF; CE0; CorrDec

C19H19N7O6 (441.1396754)


   

Folic acid; AIF; CE10; CorrDec

Folic acid; AIF; CE10; CorrDec

C19H19N7O6 (441.1396754)


   

Folic acid; AIF; CE30; CorrDec

Folic acid; AIF; CE30; CorrDec

C19H19N7O6 (441.1396754)


   

Folic acid; AIF; CE0; MS2Dec

Folic acid; AIF; CE0; MS2Dec

C19H19N7O6 (441.1396754)


   

Folic acid; AIF; CE10; MS2Dec

Folic acid; AIF; CE10; MS2Dec

C19H19N7O6 (441.1396754)


   

Folic acid; AIF; CE30; MS2Dec

Folic acid; AIF; CE30; MS2Dec

C19H19N7O6 (441.1396754)


   

Folate

Folic acid

C19H19N7O6 (441.1396754)


Folic acid (Vitamin B9) is a orally active essential nutrient from the B complex group of vitamins. Folic acid shows antidepressant-like effect. Folic acid sodium reduces the risk of neonatal neural tube defects. Folic acid can be used to the research of megaloblastic and macrocytic anemias due to folic deficiency[1][2][3][4]. Folic acid (Vitamin B9) is a orally active essential nutrient from the B complex group of vitamins. Folic acid shows antidepressant-like effect. Folic acid sodium reduces the risk of neonatal neural tube defects. Folic acid can be used to the research of megaloblastic and macrocytic anemias due to folic deficiency[1][2][3][4].

   
   
   

Cys Cys Cys Asn

(2S)-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C13H23N5O6S3 (441.08104180000004)


   

Cys Cys Asn Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C13H23N5O6S3 (441.08104180000004)


   

Cys Asn Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C13H23N5O6S3 (441.08104180000004)


   

Asp Gly His Asn

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C16H23N7O8 (441.1608038)


   

Asp Gly Asn His

(3S)-3-amino-3-[({[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]propanoic acid

C16H23N7O8 (441.1608038)


   

Asp His Gly Asn

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-carbamoylpropanoic acid

C16H23N7O8 (441.1608038)


   

Asp His Asn Gly

(3S)-3-amino-3-{[(1S)-1-{[(1S)-2-carbamoyl-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

Asp Asn Gly His

(3S)-3-amino-3-{[(1S)-2-carbamoyl-1-[({[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

Asp Asn His Gly

(3S)-3-amino-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

Gly Asp His Asn

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C16H23N7O8 (441.1608038)


   

Gly Asp Asn His

(3S)-3-(2-aminoacetamido)-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

Gly His Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C16H23N7O8 (441.1608038)


   

Gly His Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]butanedioic acid

C16H23N7O8 (441.1608038)


   

Gly Asn Asp His

(3S)-3-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

Gly Asn His Asp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C16H23N7O8 (441.1608038)


   

His Asp Gly Asn

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]acetamido}-3-carbamoylpropanoic acid

C16H23N7O8 (441.1608038)


   

His Asp Asn Gly

(3S)-3-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-2-carbamoyl-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

His Gly Asp Asn

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-carboxypropanamido]-3-carbamoylpropanoic acid

C16H23N7O8 (441.1608038)


   

His Gly Asn Asp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-carbamoylpropanamido]butanedioic acid

C16H23N7O8 (441.1608038)


   

His Asn Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C16H23N7O8 (441.1608038)


   

His Asn Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]acetamido}butanedioic acid

C16H23N7O8 (441.1608038)


   
   
   
   
   
   

Asn Cys Cys Cys

(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C13H23N5O6S3 (441.08104180000004)


   

Asn Asp Gly His

(3S)-3-[(2S)-2-amino-3-carbamoylpropanamido]-3-[({[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]propanoic acid

C16H23N7O8 (441.1608038)


   

Asn Asp His Gly

(3S)-3-[(2S)-2-amino-3-carbamoylpropanamido]-3-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

Asn Gly Asp His

(3S)-3-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

Asn Gly His Asp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C16H23N7O8 (441.1608038)


   

Asn His Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C16H23N7O8 (441.1608038)


   

Asn His Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}butanedioic acid

C16H23N7O8 (441.1608038)


   
   
   
   
   
   

5-Hydroxysulfapyridine glucuronide

5-Hydroxysulfapyridine glucuronide

C17H19N3O9S (441.0841964)


   

GW 848687X

6-[2-[5-chloro-2-[(2,4-digluorophenyl)methoxy]phenyl]-1-cyclopenten-1-yl]-2-pyridinecarboxylic acid

C24H18ClF2NO3 (441.0943212000001)


   

Trp-Asp-OH

(S)-2-(3-(2-(1H-indol-3-yl)ethoxy)-4-nitrobenzamido)pentanedioic acid

C21H19N3O8 (441.11720940000004)


   

Mandelonitrile rutinoside

2-phenyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]acetonitrile

C20H27NO10 (441.1634882000001)


   

(r)-n,n-dimethyl-1-[(s)-2-(diphenylphosphino)ferrocenyl]ethylamine

(r)-n,n-dimethyl-1-[(s)-2-(diphenylphosphino)ferrocenyl]ethylamine

C26H28FeNP (441.13086480000004)


   

R547

(4-Amino-2-((1-(methylsulfonyl)piperidin-4-yl)amino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone

C18H21F2N5O4S (441.12822500000004)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent

   

7-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-2-OXO-2H-CHROMEN-4-YL]-ACETIC ACID

7-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-2-OXO-2H-CHROMEN-4-YL]-ACETIC ACID

C26H19NO6 (441.12123140000006)


   

Nebivolol hydrochloride

Nebivolol hydrochloride

C22H26ClF2NO4 (441.1518330000001)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Nebivolol (R 065824) hydrochloride is an orally active beta receptor blocker and has the high beta(1)-receptor affinity.Nebivolol hydrochloride has direct vasodilator properties and adrenergic blocking characteristics. Nebivolol hydrochloride can be used for the research of kinds of diseases such as hypertension, coronary artery disease, congestive heart failure and ischemic heart disease[1][2].

   

Dolutegravir Sodium

Dolutegravir Sodium

C20H18F2N3NaO5 (441.1112162)


D004791 - Enzyme Inhibitors > D019429 - Integrase Inhibitors > D019428 - HIV Integrase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent

   

13,6-(EPITHIOIMINO)PENTACENE-16-CARBOXYLIC ACID, 6,13-DIHYDRO-, TERT BUTYL ESTER, 15-OXIDE

13,6-(EPITHIOIMINO)PENTACENE-16-CARBOXYLIC ACID, 6,13-DIHYDRO-, TERT BUTYL ESTER, 15-OXIDE

C27H23NO3S (441.1398568000001)


   
   

9H-Fluorene-4-methanol,2,7-dichloro-a-[(dibutylamino)methyl]-,hydrochloride (1:1)

9H-Fluorene-4-methanol,2,7-dichloro-a-[(dibutylamino)methyl]-,hydrochloride (1:1)

C23H30Cl3NO (441.139286)


   
   

2-pyridyl-2 3 4 6-tetra-o-acetyl-1-thio&

2-pyridyl-2 3 4 6-tetra-o-acetyl-1-thio&

C19H23NO9S (441.1093468)


   

(4-(N,N-Bis(4-methoxybenzyl)sulfamoyl)phenyl)boronic acid

(4-(N,N-Bis(4-methoxybenzyl)sulfamoyl)phenyl)boronic acid

C22H24BNO6S (441.1417314)


   
   
   
   

(R)-3-(4-ACETAMIDOPHENOXY)-2-HYDROXY-2-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE

(R)-3-(4-ACETAMIDOPHENOXY)-2-HYDROXY-2-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE

C19H18F3N3O6 (441.1147644)


   

[7-(6-nitrooxyhexoxy)-4-oxo-2-phenylchromen-5-yl] acetate

[7-(6-nitrooxyhexoxy)-4-oxo-2-phenylchromen-5-yl] acetate

C23H23NO8 (441.1423598)


   
   

3-Phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

3-Phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C24H27NO5S (441.1609852000001)


   
   

L-778123 (hydrochloride)

Benzonitrile, 4-((5-((4-(3-chlorophenyl)-3-oxo-1-piperazinyl)methyl)-1H-imidazol-1-yl)methyl)-, monohydrochloride

C22H21Cl2N5O (441.1123076)


C471 - Enzyme Inhibitor > C2020 - Farnesyl Transferase Inhibitor

   

2,4,6-Tris(4-Carboxyphenyl)-1,3,5-Triazine

2,4,6-Tris(4-Carboxyphenyl)-1,3,5-Triazine

C24H15N3O6 (441.096081)


   

(-)-(R)-N,N-DIMETHYL-1-[(R)-2-(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLAMINE

(-)-(R)-N,N-DIMETHYL-1-[(R)-2-(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLAMINE

C26H28FeNP (441.13086480000004)


   
   

midazolam maleate

midazolam maleate

C22H17ClFN3O4 (441.08915640000004)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

   

(S)-N,N-DIMETHYL-1-[(R)-2-(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLAMINE

(S)-N,N-DIMETHYL-1-[(R)-2-(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLAMINE

C26H28FeNP (441.13086480000004)


   
   

Danirixin

Danirixin

C19H21ClFN3O4S (441.0925268000001)


C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist

   

(5r)-5-(4-{[(2r)-6-Hydroxy-2,5,7,8-Tetramethyl-3,4-Dihydro-2h-Chromen-2-Yl]methoxy}benzyl)-1,3-Thiazolidine-2,4-Dione

(5r)-5-(4-{[(2r)-6-Hydroxy-2,5,7,8-Tetramethyl-3,4-Dihydro-2h-Chromen-2-Yl]methoxy}benzyl)-1,3-Thiazolidine-2,4-Dione

C24H27NO5S (441.1609852000001)


   

Cephaloglycin dihydrate

Cephaloglycin dihydrate

C18H23N3O8S (441.12057980000003)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

Crisnatol mesylate

Crisnatol mesylate

C24H27NO5S (441.1609852000001)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent

   
   

S-Mandelylglutathione

S-Mandelylglutathione

C18H23N3O8S (441.12057980000003)


D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids

   

N-(1,3-benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide

N-(1,3-benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide

C21H19N3O4S2 (441.08169340000006)


ML355 is a potent and selective inhibitor of 12-Lipoxygenase (12-LOX) with an IC50 of 0.34 μM, shows excellent selectivity over related lipoxygenases and cyclooxygenases, and possesses favorable ADME properties.

   

Rac-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate

Rac-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate

C21H22F3NO6 (441.13991480000004)


A natural product found in Gnetum montanum.

   
   
   

N-(1,1-dioxo-3-thiolanyl)-N-[(4-ethoxyphenyl)methyl]-2-oxo-1-benzopyran-3-carboxamide

N-(1,1-dioxo-3-thiolanyl)-N-[(4-ethoxyphenyl)methyl]-2-oxo-1-benzopyran-3-carboxamide

C23H23NO6S (441.12460180000005)


   

5-[3-(2-Chloro-6-methoxy-3-quinolinyl)-5-(2-furanyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid

5-[3-(2-Chloro-6-methoxy-3-quinolinyl)-5-(2-furanyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid

C22H20ClN3O5 (441.1091420000001)


   

Allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-hexyl-}-methyl-amin

Allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-hexyl-}-methyl-amin

C24H28BrNO2 (441.13032880000003)


   

5-Chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide

5-Chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide

C22H20ClN3O3S (441.09138400000006)


   

(2E,3S)-3-Hydroxy-5-[(4-hydroxypiperidin-1-YL)sulfonyl]-3-methyl-1,3-dihydro-2,3-biindol-2(1H)-one

(2E,3S)-3-Hydroxy-5-[(4-hydroxypiperidin-1-YL)sulfonyl]-3-methyl-1,3-dihydro-2,3-biindol-2(1H)-one

C22H23N3O5S (441.13583480000005)


   

Alpelisib

Alpelisib

C19H22F3N5O2S (441.14462280000004)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EM - Phosphatidylinositol-3-kinase (pi3k) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor

   

Temelastine

Temelastine

C21H24BrN5O (441.1164114)


D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

2-[3-Hydroxy-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,3-benzoxazole-4-carboxylic acid

2-[3-Hydroxy-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,3-benzoxazole-4-carboxylic acid

C24H15N3O6 (441.096081)


   

4-Hydroxy-5-[[4-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-({4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy]phenyl}methyl)-2,3-dihydro-1,3-thiazol-2-one

C24H27NO5S (441.1609852000001)


   

2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate

2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate

C19H19N7O6-2 (441.1396754)


   
   

Cortisol 21-sulfate(1-)

Cortisol 21-sulfate(1-)

C21H29O8S- (441.1583054)


Conjugate base of cortisol 21-sulfate arising from deprotonation of the sulfate OH; major species at pH 7.3.

   
   

S-(4-nitrobenzyl)-glutatione

S-(4-nitrobenzyl)-glutatione

C17H21N4O8S- (441.1080046)


   

N,N-diallyl-4-{[(cinnamoylamino)carbothioyl]amino}benzenesulfonamide

N,N-diallyl-4-{[(cinnamoylamino)carbothioyl]amino}benzenesulfonamide

C22H23N3O3S2 (441.1180768)


   

2-[2,5-Dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester

2-[2,5-Dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester

C22H23N3O5S (441.13583480000005)


   

1-[4-[[(5-methyl-7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)-oxomethyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester

1-[4-[[(5-methyl-7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)-oxomethyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester

C21H23N5O4S (441.14706780000006)


   

Methyl 2-[[8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]acetate

Methyl 2-[[8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]acetate

C21H19N3O4S2 (441.08169340000006)


   

3-[5-[(Z)-(5-imino-7-oxo-3-phenyl-6-thiazolo[3,2-a]pyrimidinylidene)methyl]-2-furanyl]benzoic acid

3-[5-[(Z)-(5-imino-7-oxo-3-phenyl-6-thiazolo[3,2-a]pyrimidinylidene)methyl]-2-furanyl]benzoic acid

C24H15N3O4S (441.07832300000007)


   

N-[3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-isoindolylidene]-2-thiophenecarboxamide

N-[3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-isoindolylidene]-2-thiophenecarboxamide

C24H19N5O2S (441.12593940000005)


   

2-[[[4-(4-Methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-1,3,4-oxadiazole

2-[[[4-(4-Methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-1,3,4-oxadiazole

C24H19N5O2S (441.12593940000005)


   

N-ethyl-3-[4-morpholinyl(oxo)methyl]-4-oxo-N-phenyl-1H-quinoline-6-sulfonamide

N-ethyl-3-[4-morpholinyl(oxo)methyl]-4-oxo-N-phenyl-1H-quinoline-6-sulfonamide

C22H23N3O5S (441.13583480000005)


   

3-nitro-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide

3-nitro-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide

C21H23N5O4S (441.14706780000006)


   

2-[3-[3-(2-Hydroxyethyl)-2-phenylimino-4-thiazolyl]phenyl]isoindole-1,3-dione

2-[3-[3-(2-Hydroxyethyl)-2-phenylimino-4-thiazolyl]phenyl]isoindole-1,3-dione

C25H19N3O3S (441.11470640000005)


   

1,3-Diphenyl-4-pyrazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester

1,3-Diphenyl-4-pyrazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester

C25H19N3O5 (441.13246440000006)


   

4-Oxo-3-phenyl-1-phthalazinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester

4-Oxo-3-phenyl-1-phthalazinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester

C21H19N3O6S (441.0994514000001)


   

2-[4-(2-chlorobenzyl)piperazin-1-yl]-N-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

2-[4-(2-chlorobenzyl)piperazin-1-yl]-N-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

C22H24ClN5O3 (441.15675840000006)


   
   

3-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]-6-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-one

3-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]-6-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-one

C22H23N3O5S (441.13583480000005)


   

1-[(4-chlorophenyl)methyl]-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-2H-pyrrol-3-ol

1-[(4-chlorophenyl)methyl]-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-2H-pyrrol-3-ol

C22H20ClN3O3S (441.09138400000006)


   

(E)-2-(1H-benzimidazol-2-yl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

(E)-2-(1H-benzimidazol-2-yl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

C23H24ClN3O4 (441.14552540000005)


   

3-(phenylazo)-N-acetyl-L-tyrosylglycylglycine

3-(phenylazo)-N-acetyl-L-tyrosylglycylglycine

C21H23N5O6 (441.1648258)


   

methyl 2-[(1R,3R,4aR,9aS)-6-(1,3-benzodioxole-5-carbonylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate

methyl 2-[(1R,3R,4aR,9aS)-6-(1,3-benzodioxole-5-carbonylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate

C23H23NO8 (441.1423598)


   

methyl 2-[(1S,3R,4aR,9aS)-6-(1,3-benzodioxole-5-carbonylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate

methyl 2-[(1S,3R,4aR,9aS)-6-(1,3-benzodioxole-5-carbonylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate

C23H23NO8 (441.1423598)


   

2-Amino-5-[[1-(carboxymethylamino)-3-(2-hydroxy-2-phenylacetyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

2-Amino-5-[[1-(carboxymethylamino)-3-(2-hydroxy-2-phenylacetyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

C18H23N3O8S (441.12057980000003)


   

2-[(1S,3S,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

2-[(1S,3S,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

C23H23NO8 (441.1423598)


   

2-[(1S,3R,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

2-[(1S,3R,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

C23H23NO8 (441.1423598)


   

2-[(1S,3S,4aR,9aS)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

2-[(1S,3S,4aR,9aS)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

C23H23NO8 (441.1423598)


   

2-[(1R,3S,4aR,9aS)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

2-[(1R,3S,4aR,9aS)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

C23H23NO8 (441.1423598)


   

2-[(1R,3R,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

2-[(1R,3R,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

C23H23NO8 (441.1423598)


   

2-[(1R,3S,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

2-[(1R,3S,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

C23H23NO8 (441.1423598)


   
   
   
   
   
   
   

2,9-Diamino-5,7-bis(trimethylsilyl)benzo[a]pyrimido[2,1,6-cd]pyrrolizine-3,4,8-tricarbonitrile

2,9-Diamino-5,7-bis(trimethylsilyl)benzo[a]pyrimido[2,1,6-cd]pyrrolizine-3,4,8-tricarbonitrile

C22H23N7Si2 (441.1553398)


An organic heterotetracyclic compound consisting of a benzo[a]pyrimido[2,1,6-cd]pyrrolizine ring system having amino substituents at the 2- and 9-positions, trimethylsilyl substituents at the 5- and 7-positions and cyano substituents at the 3-, 4- and 8-postions.

   
   

dihydrofolate(2-)

dihydrofolate(2-)

C19H19N7O6 (441.1396754)


Dianion of dihydrofolic acid arising from deprotonation of both carboxylic acid functions.

   
   

2-{[(1s)-1-methyl-5,8,12-trioxo-14-oxapentacyclo[11.6.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-2,4(9),6,10,13(20),15-hexaen-7-yl]amino}ethanesulfonic acid

2-{[(1s)-1-methyl-5,8,12-trioxo-14-oxapentacyclo[11.6.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-2,4(9),6,10,13(20),15-hexaen-7-yl]amino}ethanesulfonic acid

C22H19NO7S (441.0882184000001)


   

(6s)-3,4-bis(4-hydroxyphenyl)-6-(2-methylpropyl)-7-oxa-2-azatricyclo[7.4.0.0²,⁶]trideca-1(13),3,9,11-tetraene-5,8-dione

(6s)-3,4-bis(4-hydroxyphenyl)-6-(2-methylpropyl)-7-oxa-2-azatricyclo[7.4.0.0²,⁶]trideca-1(13),3,9,11-tetraene-5,8-dione

C27H23NO5 (441.15761480000003)


   

(1s,10s,15s,26s,29r)-10-methyl-27-oxa-8,11,13,16,24-pentaazaoctacyclo[13.12.1.1¹,⁸.0²,⁷.0¹³,²⁶.0¹⁶,²⁵.0¹⁸,²³.0¹¹,²⁹]nonacosa-2,4,6,18,20,22,24-heptaene-9,14,17-trione

(1s,10s,15s,26s,29r)-10-methyl-27-oxa-8,11,13,16,24-pentaazaoctacyclo[13.12.1.1¹,⁸.0²,⁷.0¹³,²⁶.0¹⁶,²⁵.0¹⁸,²³.0¹¹,²⁹]nonacosa-2,4,6,18,20,22,24-heptaene-9,14,17-trione

C24H19N5O4 (441.14369740000006)


   

3,4-bis(4-hydroxyphenyl)-6-(2-methylpropyl)-7-oxa-2-azatricyclo[7.4.0.0²,⁶]trideca-1(13),3,9,11-tetraene-5,8-dione

3,4-bis(4-hydroxyphenyl)-6-(2-methylpropyl)-7-oxa-2-azatricyclo[7.4.0.0²,⁶]trideca-1(13),3,9,11-tetraene-5,8-dione

C27H23NO5 (441.15761480000003)


   

(10r,11r)-10,14-bis(1h-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.0²,⁷.0¹¹,¹⁵]pentadeca-1(9),2,4,6,14-pentaen-13-one

(10r,11r)-10,14-bis(1h-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.0²,⁷.0¹¹,¹⁵]pentadeca-1(9),2,4,6,14-pentaen-13-one

C29H19N3O2 (441.1477194)


   

14-hydroxy-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one

14-hydroxy-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one

C22H19NO9 (441.10597640000003)


   

(1's,12'r,14'r,27's)-12',26'-dihydroxy-2',5',15',23',25'-pentaazaspiro[cyclopropane-1,3'-heptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosan]-6',8',10',17',19',21',23',25'-octaene-4',16'-dione

(1's,12'r,14'r,27's)-12',26'-dihydroxy-2',5',15',23',25'-pentaazaspiro[cyclopropane-1,3'-heptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosan]-6',8',10',17',19',21',23',25'-octaene-4',16'-dione

C24H19N5O4 (441.14369740000006)


   

(4r,5r,6r,7r)-5-{[(2s,3r,4r,5r,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6,7,8-tetrahydroxy-2-oxooctanoic acid

(4r,5r,6r,7r)-5-{[(2s,3r,4r,5r,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6,7,8-tetrahydroxy-2-oxooctanoic acid

C16H27NO13 (441.1482332)


   

14-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one

14-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one

C22H19NO9 (441.10597640000003)