Exact Mass: 399.1001

Exact Mass Matches: 399.1001

Found 275 metabolites which its exact mass value is equals to given mass value 399.1001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

alanycarb

ZINC299888358

C17H25N3O4S2 (399.1286)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3033

   

Difloxacin

1-(4-Fluorophenyl)-6-fluoro-7-(4-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

C21H19F2N3O3 (399.1394)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3666 CONFIDENCE standard compound; INTERNAL_ID 1028

   

Nocardicin E

(2R)-{(3S)-3-[(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl}(4-hydroxyphenyl)acetic acid

C19H17N3O7 (399.1066)


   

Narcotoline

3-{4-hydroxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}-6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-one

C21H21NO7 (399.1318)


Narcotoline is found in opium poppy. Narcotoline is an alkaloid from straw of Papaver somniferum (opium poppy) Narcotoline is an opiate alkaloid chemically related to noscapine. It binds to the same receptors in the brain as noscapine to act as an antitussive, and has also been used in tissue culture media. It can be obtained from the opium poppy Papaver somniferum. It is present at much higher levels in strains used for culinary purposes (poppyseed production) than in high-morphine strains used for opium production. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids Alkaloid from straw of Papaver somniferum (opium poppy)

   

Oxmetidine

5-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]-1,4-dihydropyrimidin-4-one

C19H21N5O3S (399.1365)


Oxmetidine belongs to the family of Benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents

   

(2aS,3R,4S,5aS,7R)-7-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl]-3-methyl-2a,3,4,5,5a,6,7,8-octahydro-2H-1,8,8b-triazaacenaphthylen-4-yl hydrogen sulfate

(2aS,3R,4S,5aS,7R)-7-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl]-3-methyl-2a,3,4,5,5a,6,7,8-octahydro-2H-1,8,8b-triazaacenaphthylen-4-yl hydrogen sulfate

C15H21N5O6S (399.1212)


   

S-Adenosylmethionine

[(3S)-3-amino-3-carboxypropyl]({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium

C15H23N6O5S+ (399.1451)


S-adenosylmethionine, also known as sam or adomet, is a member of the class of compounds known as 5-deoxy-5-thionucleosides. 5-deoxy-5-thionucleosides are 5-deoxyribonucleosides in which the ribose is thio-substituted at the 5position by a S-alkyl group. S-adenosylmethionine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). S-adenosylmethionine can be found in a number of food items such as common grape, half-highbush blueberry, jerusalem artichoke, and thistle, which makes S-adenosylmethionine a potential biomarker for the consumption of these food products. S-adenosylmethionine can be found primarily in blood, cerebrospinal fluid (CSF), feces, and urine, as well as throughout most human tissues. S-adenosylmethionine exists in all eukaryotes, ranging from yeast to humans. In humans, S-adenosylmethionine is involved in several metabolic pathways, some of which include phosphatidylcholine biosynthesis PC(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), phosphatidylcholine biosynthesis PC(22:0/18:3(9Z,12Z,15Z)), phosphatidylcholine biosynthesis PC(24:0/24:0), and phosphatidylcholine biosynthesis PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:0). S-adenosylmethionine is also involved in several metabolic disorders, some of which include methylenetetrahydrofolate reductase deficiency (MTHFRD), 3-phosphoglycerate dehydrogenase deficiency, monoamine oxidase-a deficiency (MAO-A), and aromatic l-aminoacid decarboxylase deficiency. Moreover, S-adenosylmethionine is found to be associated with diabetes mellitus type 2 and neurodegenerative disease. S-adenosylmethionine is a non-carcinogenic (not listed by IARC) potentially toxic compound. S-Adenosyl methionine is a common cosubstrate involved in methyl group transfers, transsulfuration, and aminopropylation. Although these anabolic reactions occur throughout the body, most SAM-e is produced and consumed in the liver. More than 40 methyl transfers from SAM-e are known, to various substrates such as nucleic acids, proteins, lipids and secondary metabolites. It is made from adenosine triphosphate (ATP) and methionine by methionine adenosyltransferase (EC 2.5.1.6). SAM was first discovered by Giulio Cantoni in 1952 . Significant first-pass metabolism in the liver. Approximately 50\\\% of S-Adenosylmethionine (SAMe) is metabolized in the liver. SAMe is metabolized to S-adenosylhomocysteine, which is then metabolized to homocysteine. Homocysteine can either be metabolized to cystathionine and then cysteine or to methionine. The cofactor in the metabolism of homocysteine to cysteine is vitamin B6. Cofactors for the metabolism of homocysteine to methionine are folic acid, vitamin B12 and betaine (T3DB). S-Adenosylmethionine (CAS: 29908-03-0), also known as SAM or AdoMet, is a physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in the treatment of chronic liver disease (From Merck, 11th ed). S-Adenosylmethionine is a natural substance present in the cells of the body. It plays a crucial biochemical role by donating a one-carbon methyl group in a process called transmethylation. S-Adenosylmethionine, formed from the reaction of L-methionine and adenosine triphosphate catalyzed by the enzyme S-adenosylmethionine synthetase, is the methyl-group donor in the biosynthesis of both DNA and RNA nucleic acids, phospholipids, proteins, epinephrine, melatonin, creatine, and other molecules.

   

Niaziminin

(2S,3R,4S,5R,6S)-6-(4-{[(ethoxymethanethioyl)amino]methyl}phenoxy)-4,5-dihydroxy-2-methyloxan-3-yl acetate

C18H25NO7S (399.1352)


Niaziminin is a glucosinolate and a naturally occurring thiocarbamate. It has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils, herbs and spices, and green vegetables. The trans and cis rotamers of niaziminin (niaziminin A and niaziminin B, respectively) differ in the orientation of the NH group with respect to sulfur. Niaziminin is the 4-O-acetyl derivative of niazimicin.

   

Adlumidiceine

5-(2-{6-[2-(dimethylamino)ethyl]-2H-1,3-benzodioxol-5-yl}acetyl)-2H-1,3-benzodioxole-4-carboxylic acid

C21H21NO7 (399.1318)


Adlumidiceine is an alkaloid from Papaver rhoeas (corn poppy). Alkaloid from Papaver rhoeas (corn poppy)

   

Vitisidin A

7-carboxy-4,11-dihydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),2,4,6,9,11-hexaen-2-ylium

C20H15O9 (399.0716)


Vitisidin A is a polyphenol compound found in foods of plant origin (PMID: 20428313). A polyphenol compound found in foods of plant origin (PhenolExplorer)

   

2-Imidazolidinone, 1-(3,5-dichlorophenyl)-3-(2-(1,4-dioxa-8-azaspiro(4.5)dec-8-yl)ethyl)-

1-(3,5-dichlorophenyl)-3-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}ethyl)imidazolidin-2-one

C18H23Cl2N3O3 (399.1116)


   

1H-Indole-2-carboxamide, 5-chloro-N-((1S,2R)-3-(dimethylamino)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl)-

1H-Indole-2-carboxamide, 5-chloro-N-((1S,2R)-3-(dimethylamino)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl)-

C21H22ClN3O3 (399.135)


   

Deferitazole

2-(2-hydroxy-3-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}phenyl)-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C18H25NO7S (399.1352)


   

N6-Monobutyryl-cAMP

N-[9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)purin-6-yl]butanamide

C14H18N5O7P (399.0944)


   

Pantoprazole Sulfone

6-(Difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulphonyl]-1H-1,3-benzodiazole

C16H15F2N3O5S (399.07)


   

R-4'-phosphopantothenoyl-L-cysteine

2-[(3-{[2-hydroxy-3,3-dimethyl-1-oxido-4-(phosphonooxy)butylidene]amino}-1-oxidopropylidene)amino]-3-sulphanylpropanoic acid

C12H20N2O9PS (399.0627)


R-4-phosphopantothenoyl-l-cysteine is a member of the class of compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. R-4-phosphopantothenoyl-l-cysteine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). R-4-phosphopantothenoyl-l-cysteine can be found in a number of food items such as peach, chia, persian lime, and yellow pond-lily, which makes R-4-phosphopantothenoyl-l-cysteine a potential biomarker for the consumption of these food products.

   

5,6,7,7a-Tetrahydro-10-hydroxy-4,11-dimethoxy-8H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-7-carboxylic acid methyl ester

5,6,7,7a-Tetrahydro-10-hydroxy-4,11-dimethoxy-8H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-7-carboxylic acid methyl ester

C21H21NO7 (399.1318)


   
   

6-[(R)-[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl](hydroxy)methyl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one

6-[(R)-[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl](hydroxy)methyl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one

C21H21NO7 (399.1318)


   
   
   
   

MCULE-1896713514

MCULE-1896713514

C18H16F3NO6 (399.093)


   
   
   

gamma-Glutamyldjenkol-saeuresulphoxid

gamma-Glutamyldjenkol-saeuresulphoxid

C12H21N3O8S2 (399.077)


   

3-Carbamoyl-acetyl-9-methyl-10-oxo-4,5,9-trihydroxy-9,10-dihydroanthracen-2-essigsaeure

3-Carbamoyl-acetyl-9-methyl-10-oxo-4,5,9-trihydroxy-9,10-dihydroanthracen-2-essigsaeure

C20H17NO8 (399.0954)


   

(+-)-Prepseudopalmanine|8,13-dioxo-13a-hydroxy-2,3,10,11-tetramethoxyberbine|prepseudopalmanine

(+-)-Prepseudopalmanine|8,13-dioxo-13a-hydroxy-2,3,10,11-tetramethoxyberbine|prepseudopalmanine

C21H21NO7 (399.1318)


   

4,9,10-Trimethoxy-5-(2-methylamino-aethyl)-phenanthro[3,4-d][1,3]dioxol-6,7-dion|4,9,10-trimethoxy-5-(2-methylamino-ethyl)-phenanthro[3,4-d][1,3]dioxole-6,7-dione

4,9,10-Trimethoxy-5-(2-methylamino-aethyl)-phenanthro[3,4-d][1,3]dioxol-6,7-dion|4,9,10-trimethoxy-5-(2-methylamino-ethyl)-phenanthro[3,4-d][1,3]dioxole-6,7-dione

C21H21NO7 (399.1318)


   

gamma-Glutamylselenocystathionin II

gamma-Glutamylselenocystathionin II

C12H21N3O7Se (399.0545)


   

(??)-Palmanine|palmanine

(??)-Palmanine|palmanine

C21H21NO7 (399.1318)


   

Anhydroberberillic acid

Anhydroberberillic acid

C20H17NO8 (399.0954)


   

(6R)-7t-((R)-5-acetylamino-5-carboxy-pentanoylamino)-3-methyl-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|Deacetoxycephalosporin C-N-Ac|N-Acetyldeacetoxycephalosporin C

(6R)-7t-((R)-5-acetylamino-5-carboxy-pentanoylamino)-3-methyl-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|Deacetoxycephalosporin C-N-Ac|N-Acetyldeacetoxycephalosporin C

C16H21N3O7S (399.11)


   
   

7-[(2-Carboxy-1-pyrrolidinyl)methyl]-5,6-dihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4,8,9-trione

7-[(2-Carboxy-1-pyrrolidinyl)methyl]-5,6-dihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4,8,9-trione

C20H17NO8 (399.0954)


   
   

Lumitetracycline

Lumitetracycline

C20H17NO8 (399.0954)


   

deoxycylindrospermopsin

(2aS,3R,4S,5aS,7R)-7-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl]-3-methyl-2a,3,4,5,5a,6,7,8-octahydro-2H-1,8,8b-triazaacenaphthylen-4-yl hydrogen sulfate

C15H21N5O6S (399.1212)


A triazaacenaphthylene that is 2,2a,3,4,5,5a,6,7-octahydro-1H-1,8,8b-triazaacenaphthylene which is substituted at positions 3, 4, and 7 by methyl, sulfooxy, and (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl groups, respectively (the 2aS,3R,4S,5aS,7R stereoisomer). A non-toxic analogue of the cyanotoxins cylindrospermopsin and 7-epi-cylindrospermopsin (the latter two have a hydroxy group attached to the carbon adjacent to the uracil ring), it is produced by several species of freshwater cyanobacteria, such as Cylindrospermopsis raciborskii.

   

gamma-Glutamylselenocystathionin I

gamma-Glutamylselenocystathionin I

C12H21N3O7Se (399.0545)


   

beta-D-fructofuranosyl-(2->1)-alpha-D-[2-O-glycyl]glucopyranoside

beta-D-fructofuranosyl-(2->1)-alpha-D-[2-O-glycyl]glucopyranoside

C14H25NO12 (399.1377)


   

Lycogarubicacid methyl ester

Lycogarubicacid methyl ester

C23H17N3O4 (399.1219)


   

2-O-(alpha-D-glucopyranosyl)biopterin|2-Amino-6-((1R?,2S?)-2-alpha-D-glucopyranosyloxy-1-hydroxy-propyl)-3H-pteridin-4-on|2-amino-6-((1R?,2S?)-2-alpha-D-glucopyranosyloxy-1-hydroxy-propyl)-3H-pteridin-4-one

2-O-(alpha-D-glucopyranosyl)biopterin|2-Amino-6-((1R?,2S?)-2-alpha-D-glucopyranosyloxy-1-hydroxy-propyl)-3H-pteridin-4-on|2-amino-6-((1R?,2S?)-2-alpha-D-glucopyranosyloxy-1-hydroxy-propyl)-3H-pteridin-4-one

C15H21N5O8 (399.139)


   

L-Valine, 3-hydroxy-,(6-carboxy-4-methoxy-1-phenazinyl)methyl ester (9CI)

L-Valine, 3-hydroxy-,(6-carboxy-4-methoxy-1-phenazinyl)methyl ester (9CI)

C20H21N3O6 (399.143)


   
   
   
   
   
   
   
   
   
   
   

S-Adenosylmethionine

S-Adenosylmethionine

[C15H23N6O5S]+ (399.1451)


KEIO_ID A020; [MS2] KO008827 KEIO_ID A020

   

Pesticide2_Alanycarb_C17H25N3O4S2_

Pesticide2_Alanycarb_C17H25N3O4S2_

C17H25N3O4S2 (399.1286)


   

Coralyne Chloride

coralyne chloride hydrate

C22H22ClNO4 (399.1237)


   
   
   
   
   
   
   

1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-

1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-

C16H15F2N3O5S (399.07)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

adlumidiceine

5-(2-{6-[2-(dimethylamino)ethyl]-2H-1,3-benzodioxol-5-yl}acetyl)-2H-1,3-benzodioxole-4-carboxylic acid

C21H21NO7 (399.1318)


   

Vitisidin A

7-carboxy-4,11-dihydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2$l^{4},8-dioxatricyclo[7.3.1.0^{5,13}]trideca-1(13),2,4,6,9,11-hexaen-2-ylium

C20H15O9 (399.0716)


   

6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexyl nitrate

6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexyl nitrate

C21H21NO7 (399.1318)


   

(s)-(+)-1-(alpha-aminobenzyl)-2-naphthol tartarate

(s)-(+)-1-(alpha-aminobenzyl)-2-naphthol tartarate

C21H21NO7 (399.1318)


   

4-Bromo-N,N-diphenyl-4-biphenylamine

4-Bromo-N,N-diphenyl-4-biphenylamine

C24H18BrN (399.0623)


   

Acetamide, N-(3-acetylphenyl)-2-[(5-ethyl-2,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]- (9CI)

Acetamide, N-(3-acetylphenyl)-2-[(5-ethyl-2,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]- (9CI)

C20H21N3O2S2 (399.1075)


   

[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl](4-phenyl-1 -piperazinyl)methanone

[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl](4-phenyl-1 -piperazinyl)methanone

C21H19ClFN3O2 (399.115)


   

2-Oxazolidinone, 3-[(5S)-5-(acetyloxy)-5-(4-fluorophenyl)-1-oxopentyl]-4-phenyl-, (4S)-

2-Oxazolidinone, 3-[(5S)-5-(acetyloxy)-5-(4-fluorophenyl)-1-oxopentyl]-4-phenyl-, (4S)-

C22H22FNO5 (399.1482)


   
   

N-(4-Bromophenyl)-N-phenyl-4-biphenylamine

N-(4-Bromophenyl)-N-phenyl-4-biphenylamine

C24H18BrN (399.0623)


   

Urea, N-[(2-chloro-6-methoxy-3-quinolinyl)methyl]-N-(2-methoxyethyl)-N-phenyl- (9CI)

Urea, N-[(2-chloro-6-methoxy-3-quinolinyl)methyl]-N-(2-methoxyethyl)-N-phenyl- (9CI)

C21H22ClN3O3 (399.135)


   

3-CHLORO-3-METHYL BUTANONE

3-CHLORO-3-METHYL BUTANONE

C19H14ClN3O5 (399.0622)


   

(R)-(-)-1-(α-aminobenzyl)-2-naphthol tartarate(salt)

(R)-(-)-1-(α-aminobenzyl)-2-naphthol tartarate(salt)

C21H21NO7 (399.1318)


   

1-(DINAPHTHO[2,1-D:1,2-F][1,3,2]DIOXAPHOSPHEPIN-4-YL)PIPERIDINE

1-(DINAPHTHO[2,1-D:1,2-F][1,3,2]DIOXAPHOSPHEPIN-4-YL)PIPERIDINE

C25H22NO2P (399.1388)


   

4-(2-methylimidazole -1-yl)-2,2-diphenylbutyronitrile phosphate

4-(2-methylimidazole -1-yl)-2,2-diphenylbutyronitrile phosphate

C20H22N3O4P (399.1348)


   

Rufloxacin hydrochloride

Rufloxacin (hydrochloride)

C17H19ClFN3O3S (399.082)


D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones D004791 - Enzyme Inhibitors

   

Scopolamine N-oxide hydrobromide

Scopolamine N-oxide hydrobromide

C17H22BrNO5 (399.0681)


   
   

H-GLU(OALL)-OALL P-TOSYLATE

H-GLU(OALL)-OALL P-TOSYLATE

C18H25NO7S (399.1352)


   

2-(4-BROMOPHENYL)-4-PHENYL-6-(4-TOLYL)PYRIDINE

2-(4-BROMOPHENYL)-4-PHENYL-6-(4-TOLYL)PYRIDINE

C24H18BrN (399.0623)


   

2-(Aminomethyl)cyclobutyl]methanamine 2-hydroxypropanoic acid platinum salt

2-(Aminomethyl)cyclobutyl]methanamine 2-hydroxypropanoic acid platinum salt

C9H20N2O3Pt (399.1122)


   

5-(2,4-difluorophenyl)-2-(4-nitrobenzoyl)oxybenzoic acid

5-(2,4-difluorophenyl)-2-(4-nitrobenzoyl)oxybenzoic acid

C20H11F2NO6 (399.0554)


   

TAK-715

Benzamide, N-[4-[2-ethyl-4-(3-methylphenyl)-5-thiazolyl]-2-pyridinyl]-

C24H21N3OS (399.1405)


   

Anisodine Hydromide

Anisodine Hydromide

C17H22BrNO5 (399.0681)


   

1-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID

1-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID

C25H21NO4 (399.1471)


   

Methyl 2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxylate

Methyl 2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxylate

C17H16F3N3O3S (399.0864)


   

7-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidine

7-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidine

C19H22BN3O4S (399.1424)


   

Methanone, [4-(3-chlorophenyl)-1-piperazinyl][3-(4-fluorophenyl)-5-methyl-4-isoxazolyl]

Methanone, [4-(3-chlorophenyl)-1-piperazinyl][3-(4-fluorophenyl)-5-methyl-4-isoxazolyl]

C21H19ClFN3O2 (399.115)


   

Methyl 5-N,4-O-Carbonyl-3,5-dideoxy-2-S-phenyl-2-thio-D-glycero-beta-D-galacto-2-nonulopyranosylonate

Methyl 5-N,4-O-Carbonyl-3,5-dideoxy-2-S-phenyl-2-thio-D-glycero-beta-D-galacto-2-nonulopyranosylonate

C17H21NO8S (399.0988)


   

n-fmoc-2-aminoindan-2-carboxylic acid

n-fmoc-2-aminoindan-2-carboxylic acid

C25H21NO4 (399.1471)


   

enoxastrobin

enoxastrobin

C22H22ClNO4 (399.1237)


D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins

   

fmoc-d-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

fmoc-d-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

C25H21NO4 (399.1471)


   

naphthol as-lc acetate

naphthol as-lc acetate

C21H18ClNO5 (399.0873)


   

FA-Phe-Gly-Gly-OH

FA-Phe-Gly-Gly-OH

C20H21N3O6 (399.143)


   
   

4-{4-Amino-5-[(4-cyanophenyl)amino]-2-nitrophenoxy}-3,5-dimethylb enzonitrile

4-{4-Amino-5-[(4-cyanophenyl)amino]-2-nitrophenoxy}-3,5-dimethylb enzonitrile

C22H17N5O3 (399.1331)


   
   

Fmoc-D-Tic-OH

Fmoc-D-Tic-OH

C25H21NO4 (399.1471)


   

(S)-5-[[1-benzyl-2-[(4-nitrophenyl)amino]-2-oxoethyl]amino]-5-oxovaleric acid

(S)-5-[[1-benzyl-2-[(4-nitrophenyl)amino]-2-oxoethyl]amino]-5-oxovaleric acid

C20H21N3O6 (399.143)


   

(R)-(-)-mandelic acid salt of (R)-methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate

(R)-(-)-mandelic acid salt of (R)-methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate

C19H20F3NO5 (399.1294)


   
   

BendaMustine IMpurity C

BendaMustine IMpurity C

C19H27Cl2N3O2 (399.148)


   

VT-464

Seviteronel

C18H17F4N3O3 (399.1206)


C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors C471 - Enzyme Inhibitor > C147923 - CYP17A1 Inhibitor D000970 - Antineoplastic Agents

   

N-[1-[N-[1-(N-L-Arginylglycyl)-L-prolyl]-L-pheny

N-[1-[N-[1-(N-L-Arginylglycyl)-L-prolyl]-L-pheny

C20H21N3O6 (399.143)


   

1-ethyl-2-methylnaphtho[1,2-d]thiazolium toluene-p-sulphonate

1-ethyl-2-methylnaphtho[1,2-d]thiazolium toluene-p-sulphonate

C21H21NO3S2 (399.0963)


   

BENZYL 2-AMINO-5-(BENZYLOXY)-4-METHOXYBENZOATE HYDROCHLORIDE

BENZYL 2-AMINO-5-(BENZYLOXY)-4-METHOXYBENZOATE HYDROCHLORIDE

C22H22ClNO4 (399.1237)


   

BOC-TRANS-4-TOSYLOXY-L-PROLINE METHYL ESTER

BOC-TRANS-4-TOSYLOXY-L-PROLINE METHYL ESTER

C18H25NO7S (399.1352)


   

Naloxone hydrochloride dihydrate

Naloxone hydrochloride dihydrate

C19H26ClNO6 (399.1449)


   

Arbaclofen placarbil

Arbaclofen placarbil

C19H26ClNO6 (399.1449)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2199 - Adjuvant Analgesic D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002491 - Central Nervous System Agents

   
   

3-Furancarboxamide, 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-yl]-

3-Furancarboxamide, 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-yl]-

C21H16F3N3O2 (399.1195)


C274 - Antineoplastic Agent > C2196 - Antimetastatic Agent

   

Balcinrenone

Balcinrenone

C20H18FN3O5 (399.123)


C78274 - Agent Affecting Cardiovascular System

   

2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine

2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine

C20H16F3N5O (399.1307)


   

N-(3-Tert-butyl-1H-pyrazol-5-YL)-N-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea

N-(3-Tert-butyl-1H-pyrazol-5-YL)-N-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea

C20H22ClN5O2 (399.1462)


   

(-)-1,2,3,4-tetrahydro-1-(3,4,5-Trimethoxybenzyl)isoquinoline-6,7-diol hydrochloride monohydrate

(-)-1,2,3,4-tetrahydro-1-(3,4,5-Trimethoxybenzyl)isoquinoline-6,7-diol hydrochloride monohydrate

C19H26ClNO6 (399.1449)


D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists

   

S-Adenosyl-L-methionine

S-Adenosyl-L-methionine

C15H23N6O5S+ (399.1451)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   
   

Pelagiomicin A

Pelagiomicin A

C20H21N3O6 (399.143)


A natural product found in Pelagiobacter variabilis.

   

Dihydrocodeine phosphate

5,6-Dihydro-b,b-carotene-3,3,5,6-tetrol

C18H26NO7P (399.1447)


6-epikarpoxanthin is a member of the class of compounds known as xanthophylls. Xanthophylls are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. 6-epikarpoxanthin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-epikarpoxanthin can be found in a number of food items such as italian sweet red pepper, herbs and spices, fruits, and orange bell pepper, which makes 6-epikarpoxanthin a potential biomarker for the consumption of these food products.

   

2,6-difluoro-N-(1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-yl)benzamide

2,6-difluoro-N-(1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-yl)benzamide

C18H11F6N3O (399.0806)


   

Monobutyryl cyclic AMP

Monobutyryl cyclic AMP

C14H18N5O7P (399.0944)


   

5-(3,4-Dimethoxyphenyl)-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid

5-(3,4-Dimethoxyphenyl)-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid

C20H21N3O4S (399.1253)


   

4-Nitrobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester

4-Nitrobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester

C18H13N3O6S (399.0525)


   

ethyl 2-[(4E)-1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazol-2-yl]sulfanylacetate

ethyl 2-[(4E)-1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazol-2-yl]sulfanylacetate

C18H17N5O4S (399.1001)


   

4-Methyl-3-nitrobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester

4-Methyl-3-nitrobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester

C18H13N3O6S (399.0525)


   

2-[[3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-(2-oxolanylmethyl)acetamide

2-[[3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-(2-oxolanylmethyl)acetamide

C17H25N3O4S2 (399.1286)


   

N-(5-chloro-2-methoxyphenyl)-2-[N-methyl-1-(2-phenyl-2H-1,2,3-triazol-4-yl)formamido]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[N-methyl-1-(2-phenyl-2H-1,2,3-triazol-4-yl)formamido]acetamide

C19H18ClN5O3 (399.1098)


   

Oxaliplatine

Oxaliplatine

C8H16N2O4Pt+2 (399.0758)


D000970 - Antineoplastic Agents

   

(4-Bromophenyl)[4-({(2E)-4-[cyclopropyl(methyl)amino]but-2-enyl}oxy)phenyl]methanone

(4-Bromophenyl)[4-({(2E)-4-[cyclopropyl(methyl)amino]but-2-enyl}oxy)phenyl]methanone

C21H22BrNO2 (399.0834)


   

(1R)-1-{[(4-Methoxy-1,1-biphenyl-4-YL)sulfonyl]amino}-2-methylpropylphosphonic acid

(1R)-1-{[(4-Methoxy-1,1-biphenyl-4-YL)sulfonyl]amino}-2-methylpropylphosphonic acid

C17H22NO6PS (399.0905)


   

(1S)-1-{[(4-Methoxy-1,1-biphenyl-4-YL)sulfonyl]amino}-2-methylpropylphosphonic acid

(1S)-1-{[(4-Methoxy-1,1-biphenyl-4-YL)sulfonyl]amino}-2-methylpropylphosphonic acid

C17H22NO6PS (399.0905)


   

Difloxacin

Difloxacin

C21H19F2N3O3 (399.1394)


A quinolone that is pefloxacin in which the ethyl group at position 1 of the quinolone has been replaced by a p-fluorophenyl group. A broad-spectrum antibiotic effective against both Gram-positive and Gram-negative bacteria, it is used (usually as the monohydrochloride salt) for the treatment of bacterial infections in dogs. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic

   

Carbonimidothioic acid, [[4-[(4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]phenyl]methyl]-, O-ethyl ester, (E)-

Carbonimidothioic acid, [[4-[(4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]phenyl]methyl]-, O-ethyl ester, (E)-

C18H25NO7S (399.1352)


   

(1R,2R)-cyclohexane-1,2-diamine;oxalic acid;platinum(2+)

(1R,2R)-cyclohexane-1,2-diamine;oxalic acid;platinum(2+)

C8H16N2O4Pt+2 (399.0758)


D000970 - Antineoplastic Agents

   

N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3-)

N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3-)

C12H20N2O9PS-3 (399.0627)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Deoxycylindrospermopsin zwitterion

Deoxycylindrospermopsin zwitterion

C15H21N5O6S (399.1212)


   

2-[(2S,3S)-2,4,6,8-tetrahydroxy-5,10-dioxo-5,10-dihydroanthra[2,3-b]furan-3-yl]ethyl acetate

2-[(2S,3S)-2,4,6,8-tetrahydroxy-5,10-dioxo-5,10-dihydroanthra[2,3-b]furan-3-yl]ethyl acetate

C20H15O9- (399.0716)


   

N-[[1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-3-yl]methyl]carbamodithioate

N-[[1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-3-yl]methyl]carbamodithioate

C16H19N2O6S2- (399.0684)


   

S-adenosyl-L-(2 hydroxyl-4-methylthio)butyrate

S-adenosyl-L-(2 hydroxyl-4-methylthio)butyrate

C15H21N5O6S (399.1212)


   

(2S)-2-amino-5-[[(2R)-3-[carboxy(chloro)methyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(2R)-3-[carboxy(chloro)methyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

C12H18ClN3O8S (399.0503)


   

CP 91149; CP91149; Unii-O8EV00W45A

CP 91149; CP91149; Unii-O8EV00W45A

C21H22ClN3O3 (399.135)


   
   

R-4-phosphopantothenoyl-L-cysteine

R-4-phosphopantothenoyl-L-cysteine

C12H20N2O9PS-3 (399.0627)


   

[(3S)-3-Amino-4-hydroxy-4-oxobutyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium

[(3S)-3-Amino-4-hydroxy-4-oxobutyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium

C15H23N6O5S+ (399.1451)


   

3-[(2,5-dichlorophenoxy)methyl]-N-(2,6-dimethylphenyl)benzamide

3-[(2,5-dichlorophenoxy)methyl]-N-(2,6-dimethylphenyl)benzamide

C22H19Cl2NO2 (399.0793)


   

5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-(2-methylpropyl)amino]-2-oxoethyl] ester

5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-(2-methylpropyl)amino]-2-oxoethyl] ester

C18H25NO5S2 (399.1174)


   

5-[[4-(4-Acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one

5-[[4-(4-Acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one

C20H21N3O4S (399.1253)


   

N-(2,5-dimethoxybenzylidene)-5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furohydrazide

N-(2,5-dimethoxybenzylidene)-5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furohydrazide

C18H17N5O6 (399.1179)


   
   

3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

C21H22ClN3O3 (399.135)


   

2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile

2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile

C20H21N3O6 (399.143)


   

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3-methyl-2-imidazo[4,5-b]pyridinyl)thio]acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3-methyl-2-imidazo[4,5-b]pyridinyl)thio]acetamide

C18H17N5O2S2 (399.0824)


   

5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide

5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide

C21H22ClN3O3 (399.135)


   

(2S,3S)-versiconal hemiacetal acetate(1-)

(2S,3S)-versiconal hemiacetal acetate(1-)

C20H15O9- (399.0716)


A phenolate anion obtained by deprotonation of the 8-hydroxy group of (2S-3S)-versiconal hemiacetal acetate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

N-[2-(1H-indol-3-yl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide

N-[2-(1H-indol-3-yl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide

C24H21N3OS (399.1405)


   

2-chloro-N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]benzenesulfonamide

2-chloro-N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]benzenesulfonamide

C17H19Cl2N3O2S (399.0575)


   

2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-pyridinylmethyl)benzamide

2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-pyridinylmethyl)benzamide

C20H18FN3O3S (399.1053)


   

3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C21H22ClN3O3 (399.135)


   

ethyl 2,4-dimethyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1H-pyrrole-3-carboxylate

ethyl 2,4-dimethyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1H-pyrrole-3-carboxylate

C19H21N5O3S (399.1365)


   

2,4-difluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide

2,4-difluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide

C16H9F8NO2 (399.0506)


   

2-(2-Chloro-6-fluoro-phenyl)-3-(4-methyl-6-phenyl-pyrimidin-2-yl)thiazolidin-4-one

2-(2-Chloro-6-fluoro-phenyl)-3-(4-methyl-6-phenyl-pyrimidin-2-yl)thiazolidin-4-one

C20H15ClFN3OS (399.0608)


   

2,6-difluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide

2,6-difluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide

C16H9F8NO2 (399.0506)


   

2-[(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]-N-(2-furanylmethyl)acetamide

2-[(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]-N-(2-furanylmethyl)acetamide

C20H21N3O2S2 (399.1075)


   

3-ethyl-1-(2-furanylmethyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea

3-ethyl-1-(2-furanylmethyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea

C20H21N3O4S (399.1253)


   

(5Z)-3-(2-ethylhexyl)-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one

(5Z)-3-(2-ethylhexyl)-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one

C21H25N3OS2 (399.1439)


   

2-Acetyl-3,4a,8,10,11,12a-hexahydroxy-1,4,4a,5,12,12a-hexahydrotetracene-1,12-dione

2-Acetyl-3,4a,8,10,11,12a-hexahydroxy-1,4,4a,5,12,12a-hexahydrotetracene-1,12-dione

C20H15O9- (399.0716)


   
   
   
   

(+)-[6]-Gingerol; (S)-(+)-[6]Gingerol; (S)-[6]Gingerol

(+)-[6]-Gingerol; (S)-(+)-[6]Gingerol; (S)-[6]Gingerol

C15H23N6O5S+ (399.1451)


   

(4-Chlorophenyl)-[4-(7-chloro-4-quinolinyl)-2-methyl-1-piperazinyl]methanone

(4-Chlorophenyl)-[4-(7-chloro-4-quinolinyl)-2-methyl-1-piperazinyl]methanone

C21H19Cl2N3O (399.0905)


   

2-thiophen-2-yl-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one

2-thiophen-2-yl-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one

C21H21NO5S (399.114)


   

(2S,3S,3aR,9bR)-1-(cyclopropanecarbonyl)-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

(2S,3S,3aR,9bR)-1-(cyclopropanecarbonyl)-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

C18H20F3N3O4 (399.1406)


   

(2R,3R,3aS,9bS)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

(2R,3R,3aS,9bS)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

C18H20F3N3O4 (399.1406)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

2-aminoethyl 3-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid

2-aminoethyl 3-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid

C14H25NO12 (399.1377)


   

2-aminoethyl 4-O-beta-D-glucopyranuronosyl-beta-D-glucopyranoside

2-aminoethyl 4-O-beta-D-glucopyranuronosyl-beta-D-glucopyranoside

C14H25NO12 (399.1377)


   

N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-N-hydroxyoctanediamide

N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-N-hydroxyoctanediamide

C16H22BrN3O4 (399.0794)


   

Ethyl 3-[(2-chlorophenyl)diazenyl]-2-methyl-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate

Ethyl 3-[(2-chlorophenyl)diazenyl]-2-methyl-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate

C20H18ClN3O4 (399.0986)


   

2-imino-2-methoxyethyl alpha-D-arabinofuranosyl-(1->6)-1-thio-alpha-D-mannopyranoside

2-imino-2-methoxyethyl alpha-D-arabinofuranosyl-(1->6)-1-thio-alpha-D-mannopyranoside

C14H25NO10S (399.1199)


   

4-chloro-N-(4,5-dihydroxy-2-methyl-2,3,4,5-tetrahydroindol-1-yl)-3-sulfamoylbenzamide

4-chloro-N-(4,5-dihydroxy-2-methyl-2,3,4,5-tetrahydroindol-1-yl)-3-sulfamoylbenzamide

C16H18ClN3O5S (399.0656)


   

[5-[2-amino-5-(formamidomethyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxy-2,5-dihydrofuran-2-yl]methyl phosphate

[5-[2-amino-5-(formamidomethyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxy-2,5-dihydrofuran-2-yl]methyl phosphate

C13H14N5O8P-2 (399.058)


   

Alanycarb 100 microg/mL in Cyclohexane

Alanycarb 100 microg/mL in Cyclohexane

C17H25N3O4S2 (399.1286)


   

2-Amino-3-[2,3-di(butanoyloxy)propoxy-hydroxyphosphoryl]oxypropanoic acid

2-Amino-3-[2,3-di(butanoyloxy)propoxy-hydroxyphosphoryl]oxypropanoic acid

C14H26NO10P (399.1294)


   
   
   
   
   
   

2-Amino-3-[hydroxy-(2-pentanoyloxy-3-propanoyloxypropoxy)phosphoryl]oxypropanoic acid

2-Amino-3-[hydroxy-(2-pentanoyloxy-3-propanoyloxypropoxy)phosphoryl]oxypropanoic acid

C14H26NO10P (399.1294)


   

3-[(3-Acetyloxy-2-hexanoyloxypropoxy)-hydroxyphosphoryl]oxy-2-aminopropanoic acid

3-[(3-Acetyloxy-2-hexanoyloxypropoxy)-hydroxyphosphoryl]oxy-2-aminopropanoic acid

C14H26NO10P (399.1294)


   

Narcotoline

Narcotoline

C21H21NO7 (399.1318)


D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids

   

(2R)-{(3S)-3-[(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl}(4-hydroxyphenyl)acetic acid

(2R)-{(3S)-3-[(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl}(4-hydroxyphenyl)acetic acid

C19H17N3O7 (399.1066)


   

S-Adenosyl-L-methionine

S-Adenosyl-L-methionine

C15H23N6O5S (399.1451)


A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine.

   

(R)-S-adenosyl-L-methionine

(R)-S-adenosyl-L-methionine

C15H23N6O5S (399.1451)


An S-adenosyl-L-methionine that has R-configuration.

   

(S)-S-adenosyl-L-methionine

(S)-S-adenosyl-L-methionine

C15H23N6O5S (399.1451)


   

Pantoprazole Sulfone

Pantoprazole Sulfone

C16H15F2N3O5S (399.07)


   

OXMETIDINE

OXMETIDINE

C19H21N5O3S (399.1365)


C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents

   
   

S-adenosyl-L-methionine zwitterion

S-adenosyl-L-methionine zwitterion

C15H23N6O5S (399.1451)


A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.

   

N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3-)

N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3-)

C12H20N2O9PS (399.0627)


Trianion of N-[(R)-4-phosphopantothenoyl]-L-cysteine arising from deprotonation of carboxylic acid and phosphate functions.

   

(R)-S-adenosyl-L-methionine zwitterion

(R)-S-adenosyl-L-methionine zwitterion

C15H23N6O5S (399.1451)


An S-adenosyl-L-methionine zwitterion that has R-configuration; major species at pH 7.3.

   

(S)-S-adenosyl-L-methionine zwitterion

(S)-S-adenosyl-L-methionine zwitterion

C15H23N6O5S (399.1451)


An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3.

   
   
   
   

7-TFA-ap-7-Deaza-dA

7-TFA-ap-7-Deaza-dA

C16H16F3N5O4 (399.1154)


7-TFA-ap-7-Deaza-dA is a modified nucleoside. 7-TFA-ap-7-Deaza-dA can be used in the synthesis of deoxyribonucleic acid or nucleic acid. 7-TFA-ap-7-Deaza-dA is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

   

PF-06795071

PF-06795071

C18H17F4N3O3 (399.1206)


PF-06795071 is a potent and selective covalent MAGL inhibitor with an IC50 of 3 nM[1].

   

Ro 363 (hydrochloride)

Ro 363 (hydrochloride)

C19H26ClNO6 (399.1449)


Ro 363 hydrochloride, an effective inotropic stimulant, is a potent and highly selective β1-adrenoceptor agonist. Ro 363 hydrochloride is a cardiovascular modulator that reduces diastolic blood pressure and pronounces increases in myocardial contractility[1][2][3].

   

6-[4-({[ethoxy(sulfanyl)methylidene]amino}methyl)phenoxy]-4,5-dihydroxy-2-methyloxan-3-yl acetate

6-[4-({[ethoxy(sulfanyl)methylidene]amino}methyl)phenoxy]-4,5-dihydroxy-2-methyloxan-3-yl acetate

C18H25NO7S (399.1352)


   

(2r)-1-({5,6-dihydroxy-2-methyl-4,8,9-trioxocyclohexa[g]chromen-7-yl}methyl)pyrrolidine-2-carboxylic acid

(2r)-1-({5,6-dihydroxy-2-methyl-4,8,9-trioxocyclohexa[g]chromen-7-yl}methyl)pyrrolidine-2-carboxylic acid

C20H17NO8 (399.0954)


   

3-{[3-({3-[(4-hydroxyphenyl)methanethioamido]-1-sulfanylpropylidene}amino)-1-sulfanylpropylidene]amino}propanoic acid

3-{[3-({3-[(4-hydroxyphenyl)methanethioamido]-1-sulfanylpropylidene}amino)-1-sulfanylpropylidene]amino}propanoic acid

C16H21N3O3S3 (399.0745)


   

(2s)-2-amino-4-{[(1r)-2-({[(r)-(2r)-2-amino-2-carboxyethanesulfinyl]methyl}sulfanyl)-1-carboxyethyl]-c-hydroxycarbonimidoyl}butanoic acid

(2s)-2-amino-4-{[(1r)-2-({[(r)-(2r)-2-amino-2-carboxyethanesulfinyl]methyl}sulfanyl)-1-carboxyethyl]-c-hydroxycarbonimidoyl}butanoic acid

C12H21N3O8S2 (399.077)


   

methyl (12s)-16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxylate

methyl (12s)-16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxylate

C21H21NO7 (399.1318)


   

3,4-bis(1h-indol-3-yl)-5-(methoxycarbonyl)-1h-pyrrole-2-carboxylic acid

3,4-bis(1h-indol-3-yl)-5-(methoxycarbonyl)-1h-pyrrole-2-carboxylic acid

C23H17N3O4 (399.1219)


   

bisindolylpyrrole cpb-53-594-3

NA

C23H17N3O4 (399.1219)


{"Ingredient_id": "HBIN018624","Ingredient_name": "bisindolylpyrrole cpb-53-594-3","Alias": "NA","Ingredient_formula": "C23H17N3O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2473","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2s)-2-{[hydroxy(4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)methylidene]amino}-3-methylbutanoic acid

(2s)-2-{[hydroxy(4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)methylidene]amino}-3-methylbutanoic acid

C20H17NO8 (399.0954)


   

(3s)-7-hydroxy-6-methoxy-3-[(5r)-4-methoxy-6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3h-2-benzofuran-1-one

(3s)-7-hydroxy-6-methoxy-3-[(5r)-4-methoxy-6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3h-2-benzofuran-1-one

C21H21NO7 (399.1318)


   

8-hydroxy-6',7,7'-trimethoxy-2'-methyl-3',4'-dihydrospiro[2-benzopyran-3,1'-isoquinoline]-1,4-dione

8-hydroxy-6',7,7'-trimethoxy-2'-methyl-3',4'-dihydrospiro[2-benzopyran-3,1'-isoquinoline]-1,4-dione

C21H21NO7 (399.1318)


   

{10-[(6-hydroxy-2-oxo-5h-pyrimidin-4-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.0⁴,¹²]dodec-1-en-6-yl}oxidanesulfonic acid

{10-[(6-hydroxy-2-oxo-5h-pyrimidin-4-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.0⁴,¹²]dodec-1-en-6-yl}oxidanesulfonic acid

C15H21N5O6S (399.1212)


   

2-amino-4-[(2-{[(2-amino-2-carboxyethanesulfinyl)methyl]sulfanyl}-1-carboxyethyl)-c-hydroxycarbonimidoyl]butanoic acid

2-amino-4-[(2-{[(2-amino-2-carboxyethanesulfinyl)methyl]sulfanyl}-1-carboxyethyl)-c-hydroxycarbonimidoyl]butanoic acid

C12H21N3O8S2 (399.077)


   

(2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid

(2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid

C12H21N3O7Se (399.0545)


   

(2s)-2-{[(1r)-2-{[(3s)-3-amino-3-carboxypropyl]selanyl}-1-carboxyethyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid

(2s)-2-{[(1r)-2-{[(3s)-3-amino-3-carboxypropyl]selanyl}-1-carboxyethyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid

C12H21N3O7Se (399.0545)


   

(2s,5s)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidine-2-carboxylic acid

(2s,5s)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidine-2-carboxylic acid

C20H17NO8 (399.0954)


   

2-{[hydroxy(4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)methylidene]amino}-3-methylbutanoic acid

2-{[hydroxy(4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)methylidene]amino}-3-methylbutanoic acid

C20H17NO8 (399.0954)


   

10-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}(hydroxy)methyl)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one

10-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}(hydroxy)methyl)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one

C21H21NO7 (399.1318)


   

(10s)-10-[(r)-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}(hydroxy)methyl]-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one

(10s)-10-[(r)-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}(hydroxy)methyl]-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one

C21H21NO7 (399.1318)


   

(2r,3r,4s,5s,6r)-2-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-aminoacetate

(2r,3r,4s,5s,6r)-2-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-aminoacetate

C14H25NO12 (399.1377)


   

(2s,3r,4s,5r,6s)-6-[4-({[ethoxy(sulfanyl)methylidene]amino}methyl)phenoxy]-4,5-dihydroxy-2-methyloxan-3-yl acetate

(2s,3r,4s,5r,6s)-6-[4-({[ethoxy(sulfanyl)methylidene]amino}methyl)phenoxy]-4,5-dihydroxy-2-methyloxan-3-yl acetate

C18H25NO7S (399.1352)


   

2-({3-[(2-amino-2-carboxyethyl)selanyl]-1-carboxypropyl}amino)-4-(c-hydroxycarbonimidoyl)butanoic acid

2-({3-[(2-amino-2-carboxyethyl)selanyl]-1-carboxypropyl}amino)-4-(c-hydroxycarbonimidoyl)butanoic acid

C12H21N3O7Se (399.0545)


   

(2s,5r)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidine-2-carboxylic acid

(2s,5r)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidine-2-carboxylic acid

C20H17NO8 (399.0954)


   

6,11-dihydroxy-2,2,5-trimethyl-12-phenyl-1-oxa-5-azatetraphen-10-one

6,11-dihydroxy-2,2,5-trimethyl-12-phenyl-1-oxa-5-azatetraphen-10-one

C25H21NO4 (399.1471)


   

2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-aminoacetate

2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-aminoacetate

C14H25NO12 (399.1377)


   

2-({2-[(3-amino-3-carboxypropyl)selanyl]-1-carboxyethyl}amino)-4-(c-hydroxycarbonimidoyl)butanoic acid

2-({2-[(3-amino-3-carboxypropyl)selanyl]-1-carboxyethyl}amino)-4-(c-hydroxycarbonimidoyl)butanoic acid

C12H21N3O7Se (399.0545)


   

3,4-dimethoxy-2-{5-oxo-2h,7h,8h-[1,3]dioxolo[4,5-g]isoquinoline-6-carbonyl}benzoic acid

3,4-dimethoxy-2-{5-oxo-2h,7h,8h-[1,3]dioxolo[4,5-g]isoquinoline-6-carbonyl}benzoic acid

C20H17NO8 (399.0954)