Exact Mass: 323.1746016
Exact Mass Matches: 323.1746016
Found 369 metabolites which its exact mass value is equals to given mass value 323.1746016,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bialaphos
C11H22N3O6P (323.12461620000005)
A tripeptide comprising one L-phosphinothricyl and two L-alanyl units joined in sequence. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Lysergide
Lysergic acid diethylamide is an ergoline alkaloid arising from formal condensation of lysergic acid with diethylamine. It has a role as a hallucinogen, a serotonergic agonist and a dopamine agonist. It is an ergoline alkaloid, an organic heterotetracyclic compound and a monocarboxylic acid amide. It is functionally related to a lysergamide. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
N-Jasmonoylisoleucine
C18H29NO4 (323.20964740000005)
N-Jasmonoylisoleucine belongs to the class of organic compounds known as isoleucine and derivatives. Isoleucine and derivatives are compounds containing isoleucine or a derivative thereof resulting from the reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-Jasmonoylisoleucine is an extremely weak basic (essentially neutral) compound (based on its pKa). N-Jasmonoylisoleucine is found in pulses. N-Jasmonoylisoleucine is isolated from Pinus mugo (dwarf mountain pine) and Vicia fab.
Acremoauxin A
C16H21NO6 (323.13688060000004)
An indolyl carboxylate ester obtained by formal condensation of one of the primary hydroxy groups of D-arabinitol with the carboxy group of (2R)-2-(indol-3-yl)propanoic acid.
Alloxydim
L-4-Hydroxyphenylglycyl-L-arginine
C14H21N5O4 (323.15934660000005)
Prodigiosin
A member of the class of tripyrroles that is a red-coloured pigment with antibiotic properties produced by Serratia marcescens. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
Rucaparib
C19H18FN3O (323.14338300000003)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XK - Poly (adp-ribose) polymerase (parp) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Naftifine hydrochloride
C21H22ClN (323.14406820000005)
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Cyproheptadine hydrochloride
C21H22ClN (323.14406820000005)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D003879 - Dermatologic Agents > D000982 - Antipruritics D005765 - Gastrointestinal Agents D018926 - Anti-Allergic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Cyproheptadine hydrochloride is a potent and orally active 5-HT2A receptor antagonist, with antidepressant and antiserotonergic effects. Cyproheptadine hydrochloride has antiplatelet and thromboprotective activities. Cyproheptadine hydrochloride can be used for the research of thromboembolic disorders[1][2].
Gliclazide
C15H21N3O3S (323.13035560000003)
Gliclazide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It belongs to the sulfonylurea class of insulin secretagogues, which act by stimulating β cells of the pancreas to release insulin. Sulfonylureas increase both basal insulin secretion and meal-stimulated insulin release. Medications in this class differ in their dose, rate of absorption, duration of action, route of elimination and binding site on their target pancreatic β cell receptor. Sulfonylureas also increase peripheral glucose utilization, decrease hepatic gluconeogenesis and may increase the number and sensitivity of insulin receptors. Sulfonylureas are associated with weight gain, though less so than insulin. Due to their mechanism of action, sulfonylureas may cause hypoglycemia and require consistent food intake to decrease this risk. The risk of hypoglycemia is increased in elderly, debilitated and malnourished individuals. Gliclazide has been shown to decrease fasting plasma glucose, postprandial blood glucose and glycosolated hemoglobin (HbA1c) levels (reflective of the last 8-10 weeks of glucose control). Gliclazide is extensively metabolized by the liver; its metabolites are excreted in both urine (60-70\\%) and feces (10-20\\%). A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas D007004 - Hypoglycemic Agents
Mukonicine
C20H21NO3 (323.15213560000007)
Mukonicine is found in herbs and spices. Mukonicine is an alkaloid from the leaves of Murraya koenigii (curry leaf tree
Koenigicine
C20H21NO3 (323.15213560000007)
Koenigicine is found in herbs and spices. Koenigicine is an alkaloid from the leaves of Murraya koenigii (curryleaf tree
N-Monodemethylolopatadine
C20H21NO3 (323.15213560000007)
N-Monodemethylolopatadine is a metabolite of olopatadine. Olopatadine hydrochloride is an antihistamine (as well as anticholinergic) and mast cell stabilizer, sold as a prescription eye drop (0.2\\% solution, Pataday, manufactured by Alcon). It is used to treat itching associated with allergic conjunctivitis. Olopatadine hydrochloride 0.1\\% is sold as Patanol (or Opatanol in some countries). A nasal spray formulation is sold as Patanase, which was approved by the FDA on April 15, 2008. (Wikipedia)
(2E,8E)-10-hydroxydeca-2,8-dien-4-ynoylcarnitine
(2E,8E)-10-hydroxydeca-2,8-dien-4-ynoylcarnitine is an acylcarnitine. More specifically, it is an (2E,8E)-10-hydroxydeca-2,8-dien-4-ynoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2E,8E)-10-hydroxydeca-2,8-dien-4-ynoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,8E)-10-hydroxydeca-2,8-dien-4-ynoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Undeca-2,4,6-trienoylcarnitine
C18H29NO4 (323.20964740000005)
Undeca-2,4,6-trienoylcarnitine is an acylcarnitine. More specifically, it is an undeca-2,4,6-trienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Undeca-2,4,6-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Undeca-2,4,6-trienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Undeca-2,5,8-trienoylcarnitine
C18H29NO4 (323.20964740000005)
Undeca-2,5,8-trienoylcarnitine is an acylcarnitine. More specifically, it is an undeca-2,5,8-trienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Undeca-2,5,8-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Undeca-2,5,8-trienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(4E,6E)-Undeca-4,6,9-trienoylcarnitine
C18H29NO4 (323.20964740000005)
(4E,6E,9E)-Undeca-4,6,9-trienoylcarnitine is an acylcarnitine. More specifically, it is an (4E,6E,9E)-undeca-4,6,9-trienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (4E,6E,9E)-Undeca-4,6,9-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (4E,6E,9E)-Undeca-4,6,9-trienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Undeca-3,5,7-trienoylcarnitine
C18H29NO4 (323.20964740000005)
Undeca-3,5,7-trienoylcarnitine is an acylcarnitine. More specifically, it is an undeca-3,5,7-trienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Undeca-3,5,7-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Undeca-3,5,7-trienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
7-[(2-Benzyl-3-sulfanylpropanoyl)amino]heptanoic acid
C17H25NO3S (323.15550600000006)
2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-butylphenol
Bialaphos
C11H22N3O6P (323.12461620000005)
Cicloprolol
C18H29NO4 (323.20964740000005)
Cyamemazine
C19H21N3S (323.14561060000005)
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Cyamemazine is a neuroleptic agent that contains the phenothiazine chromophore. Cyamemazine is often used as an anxiolytic. Cyamemazine is a potent 5-HT3 (Ki of 12 nM), 5-HT2A (Ki = 1.5 nM) and 5-HT2C (Ki of 75 nM) receptors antagonist with antipsychotic activity[1][2].
Dehydromonocrotaline
C16H21NO6 (323.13688060000004)
Lysergide
Prodigiosin
Rubraca
C19H18FN3O (323.14338300000003)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XK - Poly (adp-ribose) polymerase (parp) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
3-Methoxy-2-[(5-methylidene-4-pentylpyrrol-2-ylidene)methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole
Alanyl-2-(1,1-dimethyl-2-propenyl)dehydrotryptophan anhydride
Cyamemazine
C19H21N3S (323.14561060000005)
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Cyamemazine is a neuroleptic agent that contains the phenothiazine chromophore. Cyamemazine is often used as an anxiolytic. Cyamemazine is a potent 5-HT3 (Ki of 12 nM), 5-HT2A (Ki = 1.5 nM) and 5-HT2C (Ki of 75 nM) receptors antagonist with antipsychotic activity[1][2].
2-(2H-Benzotriazol-2-yl)-4-(tert-butyl)-6-(sec-butyl)phenol
UV Absorber UV-329
CONFIDENCE standard compound; INTERNAL_ID 722; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 11720; ORIGINAL_PRECURSOR_SCAN_NO 11715 C1892 - Chemopreventive Agent > C851 - Sunscreen CONFIDENCE standard compound; INTERNAL_ID 722; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 11762; ORIGINAL_PRECURSOR_SCAN_NO 11757 CONFIDENCE standard compound; INTERNAL_ID 722; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 11782; ORIGINAL_PRECURSOR_SCAN_NO 11777 CONFIDENCE standard compound; INTERNAL_ID 722; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 11824; ORIGINAL_PRECURSOR_SCAN_NO 11820 CONFIDENCE standard compound; INTERNAL_ID 722; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 11837; ORIGINAL_PRECURSOR_SCAN_NO 11833 CONFIDENCE standard compound; INTERNAL_ID 722; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 11857; ORIGINAL_PRECURSOR_SCAN_NO 11853
5HPP-33
C20H21NO3 (323.15213560000007)
CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5214; ORIGINAL_PRECURSOR_SCAN_NO 5211 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5214; ORIGINAL_PRECURSOR_SCAN_NO 5213 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5254; ORIGINAL_PRECURSOR_SCAN_NO 5252 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5226; ORIGINAL_PRECURSOR_SCAN_NO 5223 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5314; ORIGINAL_PRECURSOR_SCAN_NO 5312 ORIGINAL_ACQUISITION_NO 5234; CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 5232 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; 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 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9749; ORIGINAL_PRECURSOR_SCAN_NO 9744 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9783; ORIGINAL_PRECURSOR_SCAN_NO 9781 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9807; ORIGINAL_PRECURSOR_SCAN_NO 9805 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9830; ORIGINAL_PRECURSOR_SCAN_NO 9826 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9801; ORIGINAL_PRECURSOR_SCAN_NO 9798 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9831; ORIGINAL_PRECURSOR_SCAN_NO 9828
Dimefline HCL
C20H21NO3 (323.15213560000007)
R - Respiratory system > R07 - Other respiratory system products > R07A - Other respiratory system products > R07AB - Respiratory stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
2-[6-(diethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
C14H21N5O4 (323.15934660000005)
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.710 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.712 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.707 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.708
TEB_M324b *
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2504
TEB_M324c
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2505
12xi-hydroxy-14xi-methyl-(13xiH,15xiH)-15,20-dihydro-18,21-dinor-senecionane-11,16-dione|Crotananin|crotananine
3-methoxy-2-[(5-methyl-1-pentylpyrrol-2-yl)methylidene]-4-pyrrol-1-ylpyrrole
2-(3-methoxycarbonyl-propyl) gardenamide A|genipamide
C16H21NO6 (323.13688060000004)
3-(4-methoxy-3-methyl-2-oxo-2H-pyran-6-yl)butyl pyroglutamate
C16H21NO6 (323.13688060000004)
8-(4-O-methyl-alpha-rhamnopyranosyloxy)-3,4-dihydroquinolin-2(1H)-one
C16H21NO6 (323.13688060000004)
3-O-methylglycocitrine-II|O3-Me-Glycocitrine II
C20H21NO3 (323.15213560000007)
1-Hydoxy-3-methoxy-2-(3-methyl-2-butenyl)-10-methylacridone|1-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)-N-methylacridan-9-one
C20H21NO3 (323.15213560000007)
4-methoxy-5-(5-methyl-4-pentyl-pyrrol-2-ylmethylene)-1H,5H-[2,2]bipyrrolyl|7-methoxy-1-methyl-2-pentyl-14H,16H-prodigiosene|Prodigiosin
3alpha-(3,4-dihydroxymyrtanoyloxy)tropane|8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3,4-dihydroxy-6,6-dimethylbicyclo[3.1.1]heptan-2-carboxylate|bonabiline A
C18H29NO4 (323.20964740000005)
N-3-oxo-tetradec-7Z-enoyl-L-Homoserine lactone
C18H29NO4 (323.20964740000005)
(S)-2-((S)-3-(1H-Imidazol-4-yl)-2-((S)-pyrrolidine-2-carboxamido)Propanamido)Propanoic acid
C14H21N5O4 (323.15934660000005)
piperidolate
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AA - Synthetic anticholinergics, esters with tertiary amino group C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent Piperidolate is an antimuscarinic, inhibits intestinal cramp induced by acetylcholine (rats and dogs).
lsd
CONFIDENCE standard compound; INTERNAL_ID 1625 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3688
Ritodrine hydrochloride
C17H22ClNO3 (323.1288132000001)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents Ritodrine (DU21220) hydrochloride is a potent and orally active β-adrenergic agonist. Ritodrine hydrochloride decreases preterm delivery and uterine contraction. Ritodrine hydrochloride has the potential for the research of preterm labor[1][2].
(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
C17H17N5O2_3-(1H-Imidazol-4-ylmethyl)-6-(1H-indol-3-ylmethyl)-2,5-piperazinedione
gliclazide
C15H21N3O3S (323.13035560000003)
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas D007004 - Hypoglycemic Agents
(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione [IIN-based: Match]
(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione [IIN-based on: CCMSLIB00000845126]
CP-457920
C18H17N3O3 (323.12698520000004)
CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4233; ORIGINAL_PRECURSOR_SCAN_NO 4230 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4258; ORIGINAL_PRECURSOR_SCAN_NO 4256 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4255; ORIGINAL_PRECURSOR_SCAN_NO 4253 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4244; ORIGINAL_PRECURSOR_SCAN_NO 4242 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4263; ORIGINAL_PRECURSOR_SCAN_NO 4259 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8818; ORIGINAL_PRECURSOR_SCAN_NO 8816 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8814; ORIGINAL_PRECURSOR_SCAN_NO 8811 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8832; ORIGINAL_PRECURSOR_SCAN_NO 8830 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8850; ORIGINAL_PRECURSOR_SCAN_NO 8845 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8851; ORIGINAL_PRECURSOR_SCAN_NO 8850 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8856; ORIGINAL_PRECURSOR_SCAN_NO 8854
3-Pyrrolidineacetic acid, 1-ethyl-5-oxo-4,4-diphenyl- (9CI)
C20H21NO3 (323.15213560000007)
N-3-oxo-tetradec-7(Z)-enoyl-L-Homoserine lactone
C18H29NO4 (323.20964740000005)
N-Jasmonoylisoleucine
C18H29NO4 (323.20964740000005)
Kenidine
C20H21NO3 (323.15213560000007)
Mukonicine
C20H21NO3 (323.15213560000007)
N-jasmonoyl-isoleucine
C18H29NO4 (323.20964740000005)
2-[(4-phenylpiperazin-1-yl)methyl]-1-benzothiophen-5-amine
C19H21N3S (323.14561060000005)
1-(Isopropyl(dimethyl)-lambda~5~-azanyl)-3-(1-naphthyloxy)-2-propanol
Procyclidine hydrochloride
C19H30ClNO (323.20158000000004)
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent Procyclidine (Tricyclamol, (±)-Procyclidine) hydrochloride , an anticholinergic agent, is a muscarinic receptor antagonist that also has the properties of an N-methyl-D-aspartate (NMDA) antagonist. Procyclidine hydrochloride can be used in studies of Parkinson's disease and related psychiatric disorders such as Soman-induced epilepsy[1][2].
Metiapine
C19H21N3S (323.14561060000005)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
2-(2-Piperidin-1-ylethoxy)benzaldehyde
C16H21NO6 (323.13688060000004)
tert-butyl 4-(5-nitropyridin-2-yl)oxypiperidine-1-carboxylate
1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PIPERIDINE-4-CARBOXYLIC ACID
C17H22FNO4 (323.15327840000003)
3-N-BOC-AMINO-1-[2-AMINO-1-(3-FLUORO-PHENYL)-ETHYL]-PYRROLIDINE
3-N-BOC-AMINO-1-[2-AMINO-1-(4-FLUORO-PHENYL)-ETHYL]-PYRROLIDINE
tert-butyl 4-(3-nitropyridin-2-yl)oxypiperidine-1-carboxylate
Mepixanox
C20H21NO3 (323.15213560000007)
R - Respiratory system > R07 - Other respiratory system products > R07A - Other respiratory system products > R07AB - Respiratory stimulants C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
4-(TERT-BUTOXYCARBONYL(4-METHOXYBENZYL)AMINO)BUTANOIC ACID
2-N-BOC-3-(4-METHOXY-PHENYL)-2-METHYLAMINOMETHYL-PROPIONIC ACID
2-N-BOC-3-(3-METHOXY-PHENYL)-2-METHYLAMINOMETHYL-PROPIONIC ACID
Boc-L-aspartic acid 4-benzyl ester
C16H21NO6 (323.13688060000004)
boc-(r)-alpha-(4-fluorobenzyl)-proline
C17H22FNO4 (323.15327840000003)
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-fluorobenzyl)pyrrolidine-2-carboxylic acid
C17H22FNO4 (323.15327840000003)
METHYL 2-N-BOC-2-AMINOMETHYL-3-(3-METHOXY-PHENYL)-PROPIONATE
Bufetolol
C18H29NO4 (323.20964740000005)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Cicloprolol
C18H29NO4 (323.20964740000005)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
1-BOC-4-(4-CHLOROBENZOYL)PIPERIDINE
C17H22ClNO3 (323.1288132000001)
Renzapride
Renzapride (BRL 24924), a substituted benzamide, is a full 5-HT4 receptor agonist with a Ki value of 115 nM. Renzapride (BRL 24924) is also a 5HT2b and 5HT3 receptor antagonist[1]. Renzapride could be used for constipation predominant irritable bowel syndrome (C-IBS) study[2].
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide
C19H22BNO3 (323.16926520000004)
N5-(1-CYCLOHEPTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL)PYRIDINE-2,5-DIAMINE
(2S)-2-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]amino]ethanol
C18H20F3NO (323.14969060000004)
boc-(s)-alpha-(4-fluorobenzyl)-proline
C17H22FNO4 (323.15327840000003)
N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
C15H22BNO4S (323.13625220000006)
H-Ala-Tyr-Ala-OH
N-(3-HYDROXY-4,7,7-TRIMETHYL-BICYCLO[2.2.1]HEPT-2-YL)-4-METHYL-BENZENESULFONAMIDE
C17H25NO3S (323.15550600000006)
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PIPERIDINE-3-CARBOXYLIC ACID
C17H22FNO4 (323.15327840000003)
(3R,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PIPERIDINE-3-CARBOXYLIC ACID
C17H22FNO4 (323.15327840000003)
METHYL (2S,5R)-1-CBZ-5-HYDROXY-6-METHOXYPIPECOLINATE
C16H21NO6 (323.13688060000004)
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-4-pyrazolyl)butane-1-sulfonamide
C15H21N3O3S (323.13035560000003)
(4-(4-Aminoquinazolin-2-yl)piperazin-1-yl)(furan-2-yl)methanone
TERT-BUTYL 6-(BENZYLOXY)-1H-INDOLE-1-CARBOXYLATE
C20H21NO3 (323.15213560000007)
2-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
C17H22FNO4 (323.15327840000003)
2-[3-(2H-Benzotriazol-2-yl)-4-hydroxyphenyl]ethyl methacrylate
C18H17N3O3 (323.12698520000004)
5-(PIPERIDINE-1-SULFONYL)-2-PIPERIDIN-1-YL-PHENYLAMINE
(9H-FLUOREN-9-YL)METHYL 3-HYDROXYPIPERIDINE-1-CARBOXYLATE
C20H21NO3 (323.15213560000007)
Guaiapate
C18H29NO4 (323.20964740000005)
C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent
3-[2-(1-PIPERIDINYL)ETHOXY]BENZALDEHYDE OXALATE
C16H21NO6 (323.13688060000004)
(R)-tert-butyl 3-(3-chlorobenzoyl)piperidine-1-carboxylate
C17H22ClNO3 (323.1288132000001)
4-(Phenylaminocarbonyl)benzeneboronic acid pinacol ester
C19H22BNO3 (323.16926520000004)
Cinnamaverine
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
3-hydroxy-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide
C18H17N3O3 (323.12698520000004)
9H-fluoren-9-ylmethyl (3R)-3-hydroxypiperidine-1-carboxylate
C20H21NO3 (323.15213560000007)
9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate
C20H21NO3 (323.15213560000007)
Methyl (1R,2R)-2-[(4-amino-4-biphenylyl)carbonyl]cyclopentanecar boxylate
C20H21NO3 (323.15213560000007)
2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone
5-(tetrahydro-2H-pyran-4-yloxy)pyridine-3-boronic acid pinacol ester
5-AMINOMETHYL-2-(N,N-DITERT-BUTOXYCARBONYLAMINO)PYRIDINE
(S)-tert-Butyl 2-(benzyloxycarbonylamino)-5-hydroxypentanoate
Boc-D-Aspartic acid 4-benzyl ester
C16H21NO6 (323.13688060000004)
3-(4-(Trifluoromethyl)phenoxy)-N,N-dimethyl-3-phenylpropan-1-amine
C18H20F3NO (323.14969060000004)
4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic Acid Pinacol Ester
C15H22BNO4S (323.13625220000006)
11-(4-Ethylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine
C19H21N3S (323.14561060000005)
N,N-bis(trimethylsilyl)aminopropyltrimethoxysilane
2-chloro-N-cyclopentyl-5-(3,3-diethoxy-1-propyn-1-yl)-4-Pyrimidinamine
1-Benzoyl-4-benzylpiperidine-4-carboxylic acid
C20H21NO3 (323.15213560000007)
3-Amino-3-iminopropanoic acid 1-(diphenylmethyl)-3-azetidinyl ester
N-Benzyl-1-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine
tert-Butyl 5-(benzyloxy)-1H-indole-1-carboxylate
C20H21NO3 (323.15213560000007)
1-(4-FLUOROPHENYL)-4-ISOPROPYL-2-PHENYL-1H-PYRROLE-3-CARBOXYLICACID
C20H18FNO2 (323.13214999999997)
tert-Butyl (2R)-N-(2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-hydroxyethyl)carbamate
4-(2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)morpholine
C16H23BClNO3 (323.14594280000006)
N-[cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]propane-1-sulfonamide
C14H21N5O2S (323.14158860000003)
D - Dermatologicals > D11 - Other dermatological preparations > D11A - Other dermatological preparations > D11AH - Agents for dermatitis, excluding corticosteroids C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Remetinostat
C16H21NO6 (323.13688060000004)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Benzamide, 4-amino-N-1-azabicyclo(3.3.1)non-4-yl-5-chloro-2-methoxy-
1H-Imidazole-4-carboxamide, 1-((1R,2S)-2-hydroxy-1-(2-(1-naphthalenyl)ethyl)propyl)-
Tolmicen
C20H21NOS (323.13437760000005)
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Tolciclate
C20H21NOS (323.13437760000005)
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
N-({(1r,2s)-3-Oxo-2-[(2z)-Pent-2-En-1-Yl]cyclopentyl}acetyl)-L-Isoleucine
C18H29NO4 (323.20964740000005)
2-[2-[[2-Amino-4-[hydroxy(methyl)phosphoryl]butanoyl]amino]propanoylamino]propanoic acid
C11H22N3O6P (323.12461620000005)
Cycrimine hydrochloride
C19H30ClNO (323.20158000000004)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
Lysergide-D3; LSD-D3; Lysergic Acid Diethylamide-D3
2-[(E)-2-(dimethylamino)ethenyl]-3-nitro-1-phenylindol-6-ol
C18H17N3O3 (323.12698520000004)
Ethanaminium, N-[6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, chloride
[1-(5-Hydroxypentyl)indol-3-yl]-(4-hydroxyphenyl)methanone
C20H21NO3 (323.15213560000007)
1,5-Naphthyridine-3-carboxamide, 6-ethoxy-1,4-dihydro-4-oxo-N-(phenylmethyl)-
C18H17N3O3 (323.12698520000004)
5-(4-Chlorophenyl)-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentane-1,3-diol
(6s)-2-Amino-6-(3-Methoxybiphenyl-3-Yl)-3,6-Dimethyl-5,6-Dihydropyrimidin-4(3h)-One
1-[(2r)-2-Aminobutanoyl]-N-(3-Chlorobenzyl)-L-Prolinamide
(2S)-2-amino-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
Ritodrinium
C17H22ClNO3 (323.1288132000001)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents Ritodrine (DU21220) hydrochloride is a potent and orally active β-adrenergic agonist. Ritodrine hydrochloride decreases preterm delivery and uterine contraction. Ritodrine hydrochloride has the potential for the research of preterm labor[1][2].
Renzaprida
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
2-[2-[(2-Amino-3-phenylpropanoyl)amino]propanoylamino]-3-hydroxypropanoic acid
dihydromonacolin L carboxylate
A hydroxy monocarboxylic acid anion that is the conjugate base of dihydromonacolin L acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Akuammicine(1+)
C20H23N2O2+ (323.17594379999997)
An ammonium ion that is the conjugate acid of akuammicine, arising from the protonation of the tertiary amino group.
N-[2-[3-oxo-2-(2Z)-2-penten-1-yl-cyclopentyl]acetyl]-L-isoleucine
C18H29NO4 (323.20964740000005)
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(2,4-diaminobutyl)oxolane-3,4-diol
4-methyl-2-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
C18H29NO4 (323.20964740000005)
(2S)-4-methyl-2-[[2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
C18H29NO4 (323.20964740000005)
(2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoate
(4E,6E)-Undeca-4,6,9-trienoylcarnitine
C18H29NO4 (323.20964740000005)
3-Methoxy-2-[(5-methylidene-4-pentylpyrrol-2-ylidene)methyl]-5-(1H-pyrrol-2-yl)-1H-pyrrole
1-[3-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl]-2-pyrrolidinone
10-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
C20H21NO3 (323.15213560000007)
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-ethylphenyl)urea
1-[(1,2-Dimethyl-5-indolyl)methyl]-3-(phenylmethyl)thiourea
C19H21N3S (323.14561060000005)
2-[(Dimethylamino)methyl]-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1-cyclohexane]one
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide
N,N-diethyl-4-[oxo-(2,4,6-trimethylphenyl)methyl]benzamide
2-(3-amino-3-oxopropyl)-3-(4-methylbenzoyl)-2H-indazole 1-oxide
C18H17N3O3 (323.12698520000004)
1-ethyl-2-hydroxy-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
C18H17N3O3 (323.12698520000004)
8-(Diethylaminomethyl)-7-hydroxy-4-phenyl-1-benzopyran-2-one
C20H21NO3 (323.15213560000007)
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methyl-4-pyridinecarboxamide
C18H17N3O3 (323.12698520000004)
1-Pyrrolidinyl-[5-(6-quinolinyloxymethyl)-3-isoxazolyl]methanone
C18H17N3O3 (323.12698520000004)
1-[4-[4-[(4-Methylphenyl)methylamino]phenyl]-1-piperazinyl]ethanone
N-(2-hydroxyethyl)-3-methyl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
C18H17N3O3 (323.12698520000004)
1-[4-[4-[(3-Methylphenyl)methylamino]phenyl]-1-piperazinyl]ethanone
3-{[(E)-(2,4-dihydroxyphenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
C18H17N3O3 (323.12698520000004)
3,4-dimethyl-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
1-(1,3-Benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol
C18H17N3O3 (323.12698520000004)
2,2,7,7,9,9-hexamethyl-10-oxido-8H-pyrano[2,3-b]carbazol-10-ium
N-({(1R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine
C18H29NO4 (323.20964740000005)
5,5-dimethyl-2-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)iminomethyl]cyclohexane-1,3-dione
(1S,12S,14R,15E)-15-ethylidene-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylic acid
C20H23N2O2+ (323.17594379999997)
5-(Diethoxymethyl)-3-[(diethoxyphosphinyl)methyl]-2-isoxazoline
2-Deamino-2-hydroxyneamine
An amino cyclitol glycoside that is 2-deoxystreptamine in which the pro-R hydroxy group is substituted by a 6-amino-6-deoxy-alpha-D-glucosyl residue.
methyl 2,2-dimethyl-4,6-dioxo-5-[(E)-N-prop-2-enoxy-C-propylcarbonimidoyl]cyclohexane-1-carboxylate
3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-methoxyquinoline
C20H21NO3 (323.15213560000007)
N-[(+)-7-isojasmonyl]-L-isoleucine
C18H29NO4 (323.20964740000005)
An L-isoleucine derivative resulting from the formal condensation of the carboxy group of (+)-7-isojasmonic acid with the amino group of L-isoleucine.
Lysergic acid diethylamide
An ergoline alkaloid arising from formal condensation of lysergic acid with diethylamine.
(S)-Renzapride
(S)-Renzapride ((S)-BRL 24924) is the isomer of HY-14147 Renzapride. Renzapride is a 5-HT4 receptor agonist with a Ki value of 115 nM. Renzapride also is a 5HT2b and 5HT3 receptor antagonist. Renzapride can be used for constipation predominant irritable bowel syndrome (C-IBS) study[1][2].
S3QEL-2
S3QEL-2, a suppressor of superoxide production from mitochondrial complex III, potently and selectively suppresses site IIIQo superoxide production (IC50=1.7 μM). S3QEL-2 does not affect oxidative phosphorylation, and normal electron flux. S3QEL-2 inhibits HIF-1α accumulation[1].
(3r,5s,7ar,11as)-3-(chloromethyl)-5-hexyl-1h,2h,3h,5h,6h,7h,7ah,11h-pyrrolo[2,1-j]quinolin-10-one
C19H30ClNO (323.20158000000004)
(1s,5r)-1-(butanoyloxy)-6,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl (2e)-2-methylbut-2-enoate
C18H29NO4 (323.20964740000005)
(3r)-3-(4-methoxy-5-methyl-6-oxopyran-2-yl)butyl (2r)-5-hydroxy-3,4-dihydro-2h-pyrrole-2-carboxylate
C16H21NO6 (323.13688060000004)
1-{5-hydroxy-2,8,8-trimethyl-9h,10h,11h-phenanthro[3,4-d][1,3]oxazol-4-yl}ethanone
C20H21NO3 (323.15213560000007)
(3s,6z)-3-methyl-6-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-3h-pyrazine-2,5-diol
(2s,3r)-2-({1-hydroxy-2-[(1r,2s)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl]ethylidene}amino)-3-methylpentanoic acid
C18H29NO4 (323.20964740000005)
n-(1,3-dihydroxy-3-methyl-4-oxopentan-2-yl)-6,8-dimethyldeca-2,4,6-trienamide
C18H29NO4 (323.20964740000005)
7-hydroxy-4,5,6-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
2-{[(4-butanoyl-3-methoxy-5-methylphenyl)(hydroxy)methylidene]amino}-3-hydroxypropanoic acid
C16H21NO6 (323.13688060000004)
5-hydroxy-6-methyl-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-1,6-dihydropyrazin-2-one
methyl 1-[(dimethylamino)methyl]-3a-hydroxy-5-isopropyl-7a-methyl-7-oxo-1,2,3,4-tetrahydroindene-4-carboxylate
C18H29NO4 (323.20964740000005)
2-({1-hydroxy-2-[3-oxo-2-(pent-2-en-1-yl)cyclopentyl]ethylidene}amino)-3-methylpentanoic acid
C18H29NO4 (323.20964740000005)
(6z)-5-hydroxy-6-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-1h-pyrazine-2,3-dione
C18H17N3O3 (323.12698520000004)
2-(hydroxymethyl)-6-[3-(methoxymethyl)indol-1-yl]oxane-3,4,5-triol
C16H21NO6 (323.13688060000004)