Exact Mass: 397.0831

Exact Mass Matches: 397.0831

Found 208 metabolites which its exact mass value is equals to given mass value 397.0831, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

acutumine

(1S,4S,6S,10R,11S)-11-chloro-4-hydroxy-3,4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5-cyclopent-2-ene]-1,3-dione

C19H24ClNO6 (397.1292)


Acutumine is an alkaloid. Acutumine is a natural product found in Hypserpa nitida, Sinomenium acutum, and other organisms with data available. Dauricumine is a natural product found in Hypserpa nitida, Sinomenium acutum, and Menispermum dauricum with data available.

   

BENSULIDE

O,O-bis(propan-2-yl) [(2-benzenesulfonamidoethyl)sulfanyl]phosphonothioate

C14H24NO4PS3 (397.0605)


CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4596; ORIGINAL_PRECURSOR_SCAN_NO 4592 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9469; ORIGINAL_PRECURSOR_SCAN_NO 9465 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9501; ORIGINAL_PRECURSOR_SCAN_NO 9497 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9475; ORIGINAL_PRECURSOR_SCAN_NO 9473 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4616; ORIGINAL_PRECURSOR_SCAN_NO 4612 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9463; ORIGINAL_PRECURSOR_SCAN_NO 9460 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4614; ORIGINAL_PRECURSOR_SCAN_NO 4610 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9468; ORIGINAL_PRECURSOR_SCAN_NO 9465 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9473; ORIGINAL_PRECURSOR_SCAN_NO 9472 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4602; ORIGINAL_PRECURSOR_SCAN_NO 4600 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4602; ORIGINAL_PRECURSOR_SCAN_NO 4597 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4592; ORIGINAL_PRECURSOR_SCAN_NO 4587

   

4-Keto-ATC

4-Keto-anhydrotetracycline; 4-Ketoanhydrotetracycline; 4-Keto-ATC; 4-Dedimethylamino-4-oxo-anhydrotetracycline; 4-De(dimethylamino)-4-oxoanhydrotetracycline; (4aR,12aS)-3,10,11,12a-Tetrahydroxy-6-methyl-1,4,12-trioxo-4a,5-dihydrotetracene-2-carboxamide

C20H15NO8 (397.0798)


   

5-Taurinomethyl-2-thiouridine

2-[({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}methyl)amino]ethane-1-sulfonic acid

C12H19N3O8S2 (397.0614)


5-taurinomethyl-2-thiouridine is a taurine-containing modified uridine which is present in human mitochondrial (mt) tRNA(Lys). (PMID: 15509579) [HMDB] 5-taurinomethyl-2-thiouridine is a taurine-containing modified uridine which is present in human mitochondrial (mt) tRNA(Lys). (PMID: 15509579).

   

Hydroxycelecoxib

4-{5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzene-1-sulfonamide

C17H14F3N3O3S (397.0708)


Hydroxycelecoxib is a metabolite of celecoxib and is only found in individuals that have used or taken this drug (PMID: 10681375). Hydroxycelecoxib belongs to the family of phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton which consists of a pyrazole bound to a phenyl group. Celecoxib (trade name: Celebrex) is a sulfa non-steroidal anti-inflammatory drug (NSAID) and selective COX-2 inhibitor used in the treatment of osteoarthritis, rheumatoid arthritis, acute pain, painful menstruation, and menstrual symptoms, and to reduce numbers of colon and rectum polyps in patients with familial adenomatous polyposis. It is marketed by Pfizer. Celecoxib is available by prescription in capsule form (Wikipedia).

   

Tyrphostin AG 825

3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide

C19H15N3O3S2 (397.0555)


   

cefetamet

7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H15N5O5S2 (397.0515)


   

1-(4-Acetyl-2-pyrrolidin-1-ylmethyl-piperazin-1-yl)-2-(3,4-dichloro-phenyl)-ethanone

Methyl 4-((3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate fumarate

C19H25Cl2N3O2 (397.1324)


   

Deracoxib

4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide

C17H14F3N3O3S (397.0708)


D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors

   

DMS-Cl

4-(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-methoxybenzene-1-sulfonyl chloride

C17H16ClNO6S (397.0387)


   

2-Hydroxy-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

2-hydroxy-4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide

C17H14F3N3O3S (397.0708)


   

Rivoglitazone

5-({4-[(6-methoxy-1-methyl-1H-1,3-benzodiazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione

C20H19N3O4S (397.1096)


C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent

   

4-Hydroxy-5-[[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

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

C20H19N3O4S (397.1096)


   
   

Dragmacidonamine B

Dragmacidonamine B

C19H17N4O4S (397.097)


   
   
   

Deracoxib

Deracoxib

C17H14F3N3O3S (397.0708)


D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors

   

S-adenosyl-4-methylsulfanyl-2-oxobutanoate

S-adenosyl-4-methylsulfanyl-2-oxobutanoate

C15H19N5O6S (397.1056)


   
   

(S)-tryptophan-betaxanthin

(S)-tryptophan-betaxanthin

C20H19N3O6 (397.1274)


   
   

8,13-Dioxo-14-methoxy-canadine

8,13-Dioxo-14-methoxy-canadine

C21H19NO7 (397.1161)


   
   
   

(+)-Dysidine|(??)-Dysidine|dysidin

(+)-Dysidine|(??)-Dysidine|dysidin

C16H22Cl3NO4 (397.0614)


   

azaspirofurans B

azaspirofurans B

C21H19NO7 (397.1161)


   

(+)-N-(methoxycarbonyl)-N-norisocorydione

(+)-N-(methoxycarbonyl)-N-norisocorydione

C21H19NO7 (397.1161)


   

6-hydroxymetatacarboline A

6-hydroxymetatacarboline A

C20H19N3O6 (397.1274)


   
   

(2S)-2-{[(1-acetyl-9H-beta-carbolin-3-yl)carbonyl]amino}-5-methoxy-5-oxopentanoic acid|dichotomine G|N-[(1-acetyl-9H-pyrido[3,4-b]indol-3-yl)carbonyl]-L-glutamic acid 5-methyl ester|tunicoidine E

(2S)-2-{[(1-acetyl-9H-beta-carbolin-3-yl)carbonyl]amino}-5-methoxy-5-oxopentanoic acid|dichotomine G|N-[(1-acetyl-9H-pyrido[3,4-b]indol-3-yl)carbonyl]-L-glutamic acid 5-methyl ester|tunicoidine E

C20H19N3O6 (397.1274)


   
   

dactylicapnosinine

dactylicapnosinine

C21H19NO7 (397.1161)


   
   
   
   

AG-825

3-[3-[(2-benzothiazolylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide

C19H15N3O3S2 (397.0555)


D000970 - Antineoplastic Agents > D020032 - Tyrphostins

   
   
   
   
   
   
   
   
   

Ethacrynic acid M2

Ethacrynic acid M2

C18H23NO7S (397.1195)


   

3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-2,6-dimethyl-, 2-hydroxyethyl methyl ester

3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-2,6-dimethyl-, 2-hydroxyethyl methyl ester

C18H17Cl2NO5 (397.0484)


   

S-adenosyl-4-methylthio-2-oxobutanoate

S-adenosyl-4-methylthio-2-oxobutanoate

C15H19N5O6S (397.1056)


A sulfonium betaine that is the conjugate base of S-adenosyl-4-methylthio-2-oxobutanoic acid, arising from deprotonation of the carboxy group.

   

5-Taurinomethyl-2-thiouridine

2-[[(1,2,3,4-tetrahydro-4-oxo-1-beta-delta-Ribofuranosyl-2-thioxo-5-pyrimidinyl)methyl]amino]-ethanesulfonic acid

C12H19N3O8S2 (397.0614)


   

Trp-Ala-OH

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

C20H19N3O6 (397.1274)


   

Abu-Trp-OH

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

C20H19N3O6 (397.1274)


   

Oxaliplatin

Oxaliplatin

C8H14N2O4Pt (397.0601)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent > C1450 - Platinum Compound

   

Hydroxycelecoxib

4-{5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzene-1-sulfonamide

C17H14F3N3O3S (397.0708)


   

4-Dedimethylamino-4-oxo-anhydrotetracycline

4-Dedimethylamino-4-oxo-anhydrotetracycline

C20H15NO8 (397.0798)


   

(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol,sulfuric acid

(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol,sulfuric acid

C18H23NO7S (397.1195)


   

Faropenem daloxate

Faropenem medoxomil

C17H19NO8S (397.0831)


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

   

Ofloxacin hydrochloride

Ofloxacin hydrochloride

C18H21ClFN3O4 (397.1205)


   

9-(4-BroMo-4-biphenylyl)-9H-carbazole

9-(4-BroMo-4-biphenylyl)-9H-carbazole

C24H16BrN (397.0466)


   

5-ethoxy-4-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide

5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide

C15H19N5O4S2 (397.0878)


   

2-[4-[2-hydroxy-2-(3-phenoxypropylamino)ethoxy]phenoxy]acetic acid,hydrochloride

2-[4-[2-hydroxy-2-(3-phenoxypropylamino)ethoxy]phenoxy]acetic acid,hydrochloride

C19H24ClNO6 (397.1292)


   

9-([1,1-Biphenyl]-4-yl)-3-bromo-9H-carbazole

9-([1,1-Biphenyl]-4-yl)-3-bromo-9H-carbazole

C24H16BrN (397.0466)


   

9-([1,1-biphenyl]-4-yl)-2-broMo-9H-carbazole

9-([1,1-biphenyl]-4-yl)-2-broMo-9H-carbazole

C24H16BrN (397.0466)


   

9-([1,1-biphenyl]-3-yl)-3-bromo-9H-carbazole

9-([1,1-biphenyl]-3-yl)-3-bromo-9H-carbazole

C24H16BrN (397.0466)


   

Benzovindiflupyr

Benzovindiflupyr

C18H15Cl2F2N3O (397.056)


D016573 - Agrochemicals D010575 - Pesticides

   

3-Bromo-6,9-diphenyl-9H-carbazole

3-Bromo-6,9-diphenyl-9H-carbazole

C24H16BrN (397.0466)


   

1-TERT-BUTYL 4-ETHYL 4-(IODOMETHYL)PIPERIDINE-1,4-DICARBOXYLATE

1-TERT-BUTYL 4-ETHYL 4-(IODOMETHYL)PIPERIDINE-1,4-DICARBOXYLATE

C14H24INO4 (397.075)


   
   

H-Ala-Pro-AFC

H-Ala-Pro-AFC

C18H18F3N3O4 (397.1249)


H-Ala-Pro-AFC is a biological active peptide. (This is a fluorescent peptide, Abs/Em=380/500nm. It is a substrate for dipeptidyl peptidase IV (DPP IV) and Xaa-Pro dipeptidase.)

   

Ethyl 2-(3-bromo-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

Ethyl 2-(3-bromo-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

C17H20BrNO3S (397.0347)


   

3-(2-Chlorophenyl)-6-fluoro-2-[[(2-fluorophenyl)amino]methyl]-4(3H)-quinazolinone

3-(2-Chlorophenyl)-6-fluoro-2-[[(2-fluorophenyl)amino]methyl]-4(3H)-quinazolinone

C21H14ClF2N3O (397.0793)


   

N-Methyl Pantoprazole

N-Methyl Pantoprazole

C17H17F2N3O4S (397.0908)


   

Glycopyrrolate

Glycopyrrolate

C19H28BrNO3 (397.1252)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BB - Anticholinergics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002491 - Central Nervous System Agents Glycopyrrolate (Glycopyrronium bromide), a quaternary ammonium derivative, is a muscarinic receptor antagonist. Glycopyrrolate has bronchoprotective effect and produces a beneficial effect on blood pressure. Glycopyrrolate can be used for the research of bronchial diseases[1][2][3].

   

3-(4-bromophenyl)-9-phenyl-9H-carbazole

3-(4-bromophenyl)-9-phenyl-9H-carbazole

C24H16BrN (397.0466)


   

4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride

4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride

C17H14Cl2FN3O3 (397.0396)


   

4-((2-(5-CHLORO-2-FLUOROPHENYL)-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-YL)AMINO)-N-METHYLNICOTINAMIDE

4-((2-(5-CHLORO-2-FLUOROPHENYL)-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-YL)AMINO)-N-METHYLNICOTINAMIDE

C20H17ClFN5O (397.1106)


   
   

Levofloxacin hydrochloride

Levofloxacin hydrochloride

C18H21ClFN3O4 (397.1205)


   

Cefetamet

Cefetamet

C14H15N5O5S2 (397.0515)


J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DD - Third-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

SD-06

2-{4-[5-(4-Chlorophenyl)-4-Pyrimidin-4-Yl-1h-Pyrazol-3-Yl]piperidin-1-Yl}-2-Oxoethanol

C20H20ClN5O2 (397.1305)


   

2-(3-BroMophenyl)-9H-BroMophenylcarbazole

2-(3-BroMophenyl)-9H-BroMophenylcarbazole

C24H16BrN (397.0466)


   

Methscopolamine bromide

Methscopolamine (bromide)

C18H24BrNO4 (397.0889)


C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics

   

Brequinar sodium

Brequinar sodium

C23H14F2NNaO2 (397.089)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C2169 - Dihydroorotate Dehydrogenase Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   
   

3-(2-Bromophenyl)-9-phenyl-9H-carbazole

3-(2-Bromophenyl)-9-phenyl-9H-carbazole

C24H16BrN (397.0466)


   

6-(2-Chloroethoxy)-N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-4-quinazolinamine

6-(2-Chloroethoxy)-N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-4-quinazolinamine

C21H20ClN3O3 (397.1193)


   

(R,R)-Glycopyrrolate

(R,R)-Glycopyrrolate

C19H28BrNO3 (397.1252)


   

threo-Glycopyrronium bromide

threo-Glycopyrronium bromide

C19H28BrNO3 (397.1252)


   

2-Bromo-6,9-diphenylcarbazole

2-Bromo-6,9-diphenylcarbazole

C24H16BrN (397.0466)


   

9-(2-Bromo-4-biphenylyl)carbazole

9-(2-Bromo-4-biphenylyl)carbazole

C24H16BrN (397.0466)


   

2-Bromo-9-([1,1-biphenyl]-3-yl)carbazole

2-Bromo-9-([1,1-biphenyl]-3-yl)carbazole

C24H16BrN (397.0466)


   

Dimidium bromide monohydrate

Dimidium bromide monohydrate

C20H20BrN3O (397.079)


   

4-(4-Methoxy-4-biphenylylsulfonylaminomethyl)benzoic acid

4-(4-Methoxy-4-biphenylylsulfonylaminomethyl)benzoic acid

C21H19NO5S (397.0984)


   

Glycopyrronium bromide

erythro-Glycopyrronium bromide

C19H28BrNO3 (397.1252)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BB - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002491 - Central Nervous System Agents

   

(5S)-4-ethyl-5-methyl-5-(7-oxa-4-azabicyclo[4.1.0]hepta-1(6),2,4- trien-5-ylsulfanyl)-3,4-dihydrooxazol-1-ium-2-amine hexafluoropho sphate

(5S)-4-ethyl-5-methyl-5-(7-oxa-4-azabicyclo[4.1.0]hepta-1(6),2,4- trien-5-ylsulfanyl)-3,4-dihydrooxazol-1-ium-2-amine hexafluoropho sphate

C11H14F6N3O2PS (397.0449)


   

4-O-[2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl]-beta-D-glucopyranuronic acid

4-O-[2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl]-beta-D-glucopyranuronic acid

C14H23NO12 (397.122)


   
   

SKF 83959 hydrobromide

SKF 83959 hydrobromide

C18H21BrClNO2 (397.0444)


SKF83959 hydrobromide is a potent and selective dopamine D1-like receptor partial agonist. SKF83959 hydrobromide Ki values for rat D1, D5, D2 and D3 receptors are 1.18, 7.56, 920 and 399 nM, respectively. SKF83959 hydrobromide is a potent allosteric modulator of sigma (σ)-1 receptor. SKF83959 hydrobromide belongs to benzazepine family and has improvements on cognitive dysfunction. SKF83959 hydrobromide can be used for the research of Alzheimer's disease and depression[1][2][3][4].

   

1-[(4-Phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione

1-[(4-Phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione

C22H14F3NO3 (397.0926)


VU 0365114 is a selective mAChR M5 positive allosteric modulator, with an EC50 of 2.7 μM, and >30 μM for M1, M2, M3 and M4 receptors. VU 0365114 increases insulin secretion stimulated by ACh in human β-cells[1][2][3].

   

N-Acetylchondrosine

N-Acetylchondrosine

C14H23NO12 (397.122)


   

Azidocillin sodium salt

Azidocillin sodium salt

C16H16N5NaO4S (397.0821)


   

Einecs 307-780-4

Einecs 307-780-4

C14H23NO12 (397.122)


   

5-[(4-Phenyl-1-piperazinyl)-thiophen-2-ylmethyl]-6-thiazolo[3,2-b][1,2,4]triazolol

5-[(4-Phenyl-1-piperazinyl)-thiophen-2-ylmethyl]-6-thiazolo[3,2-b][1,2,4]triazolol

C19H19N5OS2 (397.1031)


   

2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C20H19N3O4S (397.1096)


   

8-hydroxy-N-(3-(imidazo[1,2-a]pyridin-2-yl)phenyl)-2-oxo-2H-chromene-3-carboxamide

8-hydroxy-N-(3-(imidazo[1,2-a]pyridin-2-yl)phenyl)-2-oxo-2H-chromene-3-carboxamide

C23H15N3O4 (397.1063)


   

Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (3R)-

Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (3R)-

C19H28BrNO3 (397.1252)


   

GlcNAc(a1-4)a-GlcA

GlcNAc(a1-4)a-GlcA

C14H23NO12 (397.122)


   

Methylscopolamine bromide

Methylscopolamine bromide

C18H24BrNO4 (397.0889)


   

S-Benzylglutathione

S-Benzylglutathione

C17H23N3O6S (397.1307)


   

Trifluoro-thiamin phosphate

Trifluoro-thiamin phosphate

C12H13F3N4O4PS- (397.0347)


   

2-(3-Amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate

2-(3-Amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate

C18H20ClNO7 (397.0928)


   

Cefotaxime, C3 Cleaved, Open, Bound Form

Cefotaxime, C3 Cleaved, Open, Bound Form

C14H15N5O5S2 (397.0515)


   

Rivoglitazone

Rivoglitazone

C20H19N3O4S (397.1096)


C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent

   

2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-galactopyranose

2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-galactopyranose

C14H23NO12 (397.122)


   

4-[(5-Adenosyl)(methyl)sulfonio]-2-oxobutanoate

4-[(5-Adenosyl)(methyl)sulfonio]-2-oxobutanoate

C15H19N5O6S (397.1056)


   

Bacillithiol(1-)

Bacillithiol(1-)

C13H21N2O10S- (397.0917)


A carbohydrate acid derivative anion obtained by deprotonation of both carboxy groups and protonation of the amino group of bacillithiol; major species at pH 7.3.

   

2-(((1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)amino)ethanesulfonic acid

2-(((1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)amino)ethanesulfonic acid

C12H19N3O8S2 (397.0614)


   

S-(2-chlorocarboxymethyl)-glutathione

S-(2-chlorocarboxymethyl)-glutathione

C12H16ClN3O8S-2 (397.0347)


   

Oxalato(trans-l-1,2-cyclohexanediamine)platinum(II)

Oxalato(trans-l-1,2-cyclohexanediamine)platinum(II)

C8H14N2O4Pt (397.0601)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XA - Platinum compounds D000970 - Antineoplastic Agents

   
   

7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H15N5O5S2 (397.0515)


J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DD - Third-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

1-(3,4-Dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone

1-(3,4-Dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone

C20H19N3O4S (397.1096)


   

2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-glucopyranose

2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-glucopyranose

C14H23NO12 (397.122)


   

2-(8-methoxy-2-methyl-quinolin-4-yl)sulfanyl-N-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide

2-(8-methoxy-2-methyl-quinolin-4-yl)sulfanyl-N-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide

C20H19N3O4S (397.1096)


   

N-[3-(4-phenyl-2-thiazolyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide

N-[3-(4-phenyl-2-thiazolyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide

C21H23N3OS2 (397.1282)


   

1-(3,4-Dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone

1-(3,4-Dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone

C20H19N3O4S (397.1096)


   

N-(2-Chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide

N-(2-Chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide

C17H11ClF3N3O3 (397.0441)


   

N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]-2-pyridinecarboxamide

N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]-2-pyridinecarboxamide

C21H20ClN3O3 (397.1193)


   

4-chloro-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2,5-dimethyl-3-pyrazolecarboxamide

4-chloro-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2,5-dimethyl-3-pyrazolecarboxamide

C15H16ClN5O4S (397.0611)


   

[4-(2-benzimidazolylidene)-3-imino-2-phenyl-1H-pyridazin-6-yl]-thiophen-2-ylmethanone

[4-(2-benzimidazolylidene)-3-imino-2-phenyl-1H-pyridazin-6-yl]-thiophen-2-ylmethanone

C22H15N5OS (397.0997)


   

(5E)-5-(1H-indol-3-ylmethylidene)-1-(naphthalen-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

(5E)-5-(1H-indol-3-ylmethylidene)-1-(naphthalen-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

C23H15N3O2S (397.0885)


   

(1S,4R)-benzovindiflupyr

(1S,4R)-benzovindiflupyr

C18H15Cl2F2N3O (397.056)


   

4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-2-pyridinylbutanamide

4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-2-pyridinylbutanamide

C20H19N3O2S2 (397.0919)


   

4-(6-bromo-1,3-benzodioxol-5-yl)-7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

4-(6-bromo-1,3-benzodioxol-5-yl)-7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C21H20BrNO2 (397.0677)


   

1-(3,4-Dihydroxyphenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone

1-(3,4-Dihydroxyphenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone

C20H19N3O4S (397.1096)


   

Isonicotinic acid N-[1-[2-(4-fluoro-phenyl)-ethyl]-2,4,6-trioxo-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-hydrazide

Isonicotinic acid N-[1-[2-(4-fluoro-phenyl)-ethyl]-2,4,6-trioxo-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-hydrazide

C19H16FN5O4 (397.1186)


   

4-(3-chlorophenyl)-3-(2-hydroxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one

4-(3-chlorophenyl)-3-(2-hydroxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one

C21H20ClN3O3 (397.1193)


   

1-[4-[[4-(2-Chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone

1-[4-[[4-(2-Chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone

C21H16ClNO5 (397.0717)


   

2-hydroxy-N-[(E)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]benzohydrazide

2-hydroxy-N-[(E)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]benzohydrazide

C18H15N5O4S (397.0845)


   

2-[[2-[[1-(2,4-Dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester

2-[[2-[[1-(2,4-Dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester

C19H19N5O3S (397.1209)


   

[5-(3-Chlorophenyl)-3-isoxazolyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone

[5-(3-Chlorophenyl)-3-isoxazolyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone

C21H20ClN3O3 (397.1193)


   

1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[(4-methyl-2-thiazolyl)thio]ethanone

1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[(4-methyl-2-thiazolyl)thio]ethanone

C16H19N3O3S3 (397.0589)


   

4-[[2-[(4-Methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester

4-[[2-[(4-Methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester

C19H19N5O3S (397.1209)


   

3-[3-[4-(3-Chlorophenyl)-1-piperazinyl]-3-oxopropyl]-4-pyrido[2,3-d]pyrimidinone

3-[3-[4-(3-Chlorophenyl)-1-piperazinyl]-3-oxopropyl]-4-pyrido[2,3-d]pyrimidinone

C20H20ClN5O2 (397.1305)


   

2-[[[(6-Methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester

2-[[[(6-Methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester

C20H19N3O2S2 (397.0919)


   

(2R)-(4-hydroxyphenyl)[(3S)-3-{[(2Z)-2-(4-hydroxyphenyl)-2-(oxidoimino)acetyl]amino}-2-oxoazetidin-1-yl]acetate

(2R)-(4-hydroxyphenyl)[(3S)-3-{[(2Z)-2-(4-hydroxyphenyl)-2-(oxidoimino)acetyl]amino}-2-oxoazetidin-1-yl]acetate

C19H15N3O7-2 (397.091)


   

2-bromo-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide

2-bromo-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide

C20H20BrN3O (397.079)


   

(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C14H23NO12 (397.122)


   
   

(R)-mefentrifluconazole

(R)-mefentrifluconazole

C18H15ClF3N3O2 (397.0805)


   

(S)-mefentrifluconazole

(S)-mefentrifluconazole

C18H15ClF3N3O2 (397.0805)


   

GlcNAc(a1-4)b-GlcA

GlcNAc(a1-4)b-GlcA

C14H23NO12 (397.122)


   
   
   
   
   
   
   

alpha-D-GlcNAc-(1->4)-D-GlcA

alpha-D-GlcNAc-(1->4)-D-GlcA

C14H23NO12 (397.122)


A carbohydrate acid derivative that consists of D-glucuronic acid having an N-acetyl-alpha-D-glucosaminyl residue attached at position 4. An intermediate glycan in the degradation of heparan sulfate.

   

GlcNAc(b1-4)GlcA

GlcNAc(b1-4)GlcA

C14H23NO12 (397.122)


   

GlcA(b1-4)GlcNAc

GlcA(b1-4)GlcNAc

C14H23NO12 (397.122)


   

GlcA(b1-4)a-GlcNAc

GlcA(b1-4)a-GlcNAc

C14H23NO12 (397.122)


   

GlcNAc(b1-3)b-GlcA

GlcNAc(b1-3)b-GlcA

C14H23NO12 (397.122)


   

2-acetamido-2-deoxy-4-O-alpha-L-idopyranuronosyl-alpha-D-glucopyranose

2-acetamido-2-deoxy-4-O-alpha-L-idopyranuronosyl-alpha-D-glucopyranose

C14H23NO12 (397.122)


   

2-(3,4-dimethoxyphenyl)-N-[(4-iodophenyl)methyl]ethanamine

2-(3,4-dimethoxyphenyl)-N-[(4-iodophenyl)methyl]ethanamine

C17H20INO2 (397.0539)


   
   

beta-D-GlcpA-(1->3)-beta-D-GalpNAc

beta-D-GlcpA-(1->3)-beta-D-GalpNAc

C14H23NO12 (397.122)


An amino disaccharide consisting of N-acetyl-beta-D-galactosamine having a beta-D-glucuronosyl residue attached at the 3-position.

   

nocardicin E(2-)

nocardicin E(2-)

C19H15N3O7 (397.091)


A monocarboxylic acid anion obtained by deprotonation of the carboxy and oxime OH groups of nocardicin E. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

4-de(dimethylamino)-4-oxoanhydrotetracycline

4-de(dimethylamino)-4-oxoanhydrotetracycline

C20H15NO8 (397.0798)


A member of the class of tetracyclines that is anhydrotetracycline in which the dimethylamino group at position 4 has been replaced by a keto group.

   

beta-D-GlcpA-(1->3)-beta-D-GlcpNAc

beta-D-GlcpA-(1->3)-beta-D-GlcpNAc

C14H23NO12 (397.122)


An amino disaccharide consisting of N-acetyl-beta-D-glucosamine having a beta-D-glucuronosyl residue attached at the 3-position.

   

beta-D-GlcpA-(1->3)-D-GlcpNAc

beta-D-GlcpA-(1->3)-D-GlcpNAc

C14H23NO12 (397.122)


An amino disaccharide consisting of N-acetyl-D-glucosamine having a beta-D-glucuronosyl residue attached at the 3-position.

   
   

Benoxathian (hydrochloride)

Benoxathian (hydrochloride)

C19H24ClNO4S (397.1114)


Benoxathian hydrochloride is a potent α1 adrenoceptor antagonist, can be used for researching anorexia[1].

   

HIF-1α-IN-2 (hydrochloride)

HIF-1α-IN-2 (hydrochloride)

C21H20ClN3OS (397.1016)


HIF-1α-IN-2 hydrochloride is an effective HIF-1α inhibitor with anticancer potencies (IC50s of 28 nM and 15 nM in MDA-MB-231 and MiaPaCa-2 cells, respectively). HIF-1α-IN-2 hydrochloride suppresses HIF-1α expression by blocking transcription and protein translation[1].

   

Sipagladenant

Sipagladenant

C20H19N3O4S (397.1096)


Sipagladenant (Compound I) is an orally active adenosine receptor A2A inverse agonist[1]. Sipagladenant can be used in frontal lobe dysfunction research[2].

   

(1s,1's,5s,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione

(1s,1's,5s,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione

C19H24ClNO6 (397.1292)


   

8-benzoyl-2-(5-ethylfuran-2-yl)-6,8,9-trihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one

8-benzoyl-2-(5-ethylfuran-2-yl)-6,8,9-trihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one

C21H19NO7 (397.1161)


   

(2s,4e)-4-[(2z)-2-{[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]imino}ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid

(2s,4e)-4-[(2z)-2-{[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]imino}ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid

C20H19N3O6 (397.1274)


   

acutumine

SMR001397290; MLS002473201; NCGC00247495-01; CHEMBL1716763; HMS2196C12; Acutumine

C19H24ClNO6 (397.1292)


{"Ingredient_id": "HBIN014665","Ingredient_name": "acutumine","Alias": "SMR001397290; MLS002473201; NCGC00247495-01; CHEMBL1716763; HMS2196C12; Acutumine","Ingredient_formula": "C19H24ClNO6","Ingredient_Smile": "CN1CCC23C1(CC(C24C(C(=CC4=O)OC)O)Cl)C(=C(C(=O)C3)OC)OC","Ingredient_weight": "397.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT01252;SMIT03174","TCMID_id": "603","TCMSP_id": "MOL000619;MOL012908","TCM_ID_id": "7164","PubChem_id": "101286230","DrugBank_id": "NA"}

   

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

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

C21H19NO7 (397.1161)


   

1-{6-bromo-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}-2-(4-methylphenyl)ethanamine

1-{6-bromo-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}-2-(4-methylphenyl)ethanamine

C21H24BrN3 (397.1153)


   

4-{3-carboxy-6-hydroxy-9h-pyrido[3,4-b]indole-1-carbonyl}-1,3-dimethyl-5-(methylsulfanyl)-2h-imidazol-2-yl

4-{3-carboxy-6-hydroxy-9h-pyrido[3,4-b]indole-1-carbonyl}-1,3-dimethyl-5-(methylsulfanyl)-2h-imidazol-2-yl

C19H17N4O4S (397.097)


   

(5s,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione

(5s,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione

C19H24ClNO6 (397.1292)


   

8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione

8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione

C19H24ClNO6 (397.1292)


   

(5s)-5-isopropyl-4-methoxy-1-[(2e,5s)-6,6,6-trichloro-3-methoxy-5-methylhex-2-enoyl]-5h-pyrrol-2-one

(5s)-5-isopropyl-4-methoxy-1-[(2e,5s)-6,6,6-trichloro-3-methoxy-5-methylhex-2-enoyl]-5h-pyrrol-2-one

C16H22Cl3NO4 (397.0614)


   

1-(3-{3-carboxy-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid

1-(3-{3-carboxy-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid

C20H19N3O6 (397.1274)


   

(10s)-10-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxole-5-carbonyl}-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one

(10s)-10-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxole-5-carbonyl}-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one

C21H19NO7 (397.1161)


   

(2s)-1-(3-{3-carboxy-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid

(2s)-1-(3-{3-carboxy-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid

C20H19N3O6 (397.1274)


   

10-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxole-5-carbonyl}-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(12),2(6),7,9-tetraen-12-ol

10-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxole-5-carbonyl}-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(12),2(6),7,9-tetraen-12-ol

C21H19NO7 (397.1161)


   

(1s)-1-[(1s)-6-bromo-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]-2-(4-methylphenyl)ethanamine

(1s)-1-[(1s)-6-bromo-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]-2-(4-methylphenyl)ethanamine

C21H24BrN3 (397.1153)


   

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

C21H19NO7 (397.1161)


   

6-[2-(1,4-dihydroxy-4-methylpentyl)-1,3-thiazol-4-yl]-3-hydroxy-4,5-dimethoxypyridine-2-carboximidic acid

6-[2-(1,4-dihydroxy-4-methylpentyl)-1,3-thiazol-4-yl]-3-hydroxy-4,5-dimethoxypyridine-2-carboximidic acid

C17H23N3O6S (397.1307)


   

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

C21H19NO7 (397.1161)


   

(4e)-4-(2-{[1-carboxy-2-(1h-indol-3-yl)ethyl]imino}ethylidene)-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid

(4e)-4-(2-{[1-carboxy-2-(1h-indol-3-yl)ethyl]imino}ethylidene)-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid

C20H19N3O6 (397.1274)


   

(5s,6'r,8's)-6'-hydroxy-2,6,6',7,8,8'-hexahydro-2'h-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxol]-8'-yl acetate

(5s,6'r,8's)-6'-hydroxy-2,6,6',7,8,8'-hexahydro-2'h-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxol]-8'-yl acetate

C21H19NO7 (397.1161)


   

(2r)-3',4'-dichloro-6-hydroxy-1'-methyl-7-[(4s)-4-methylhexyl]spiro[1-benzofuran-2,2'-pyrrole]-3,5'-dione

(2r)-3',4'-dichloro-6-hydroxy-1'-methyl-7-[(4s)-4-methylhexyl]spiro[1-benzofuran-2,2'-pyrrole]-3,5'-dione

C19H21Cl2NO4 (397.0848)


   

(1s,1's,5r,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione

(1s,1's,5r,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione

C19H24ClNO6 (397.1292)


   

(2s,4z)-4-(2-{[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]imino}ethylidene)-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid

(2s,4z)-4-(2-{[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]imino}ethylidene)-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid

C20H19N3O6 (397.1274)


   

(1r,1's,5r,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione

(1r,1's,5r,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione

C19H24ClNO6 (397.1292)


   

16-methyl-6,8,21,23-tetraoxa-16-azaheptacyclo[15.11.0.0²,¹⁴.0⁴,¹².0⁵,⁹.0¹⁸,²⁶.0²⁰,²⁴]octacosa-1(17),2(14),3,5(9),10,12,18(26),19,24,27-decaen-15-one

16-methyl-6,8,21,23-tetraoxa-16-azaheptacyclo[15.11.0.0²,¹⁴.0⁴,¹².0⁵,⁹.0¹⁸,²⁶.0²⁰,²⁴]octacosa-1(17),2(14),3,5(9),10,12,18(26),19,24,27-decaen-15-one

C24H15NO5 (397.095)


   

6'-hydroxy-2,6,6',7,8,8'-hexahydro-2'h-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxol]-8'-yl acetate

6'-hydroxy-2,6,6',7,8,8'-hexahydro-2'h-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxol]-8'-yl acetate

C21H19NO7 (397.1161)


   

4,5-dimethoxy-13'-methyl-4',6',12'-trioxa-13'-azaspiro[2-benzofuran-1,11'-tetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadecane]-1',3'(7'),8'-trien-3-one

4,5-dimethoxy-13'-methyl-4',6',12'-trioxa-13'-azaspiro[2-benzofuran-1,11'-tetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadecane]-1',3'(7'),8'-trien-3-one

C21H19NO7 (397.1161)


   

12-methyl-1,3-dioxo-4-phenyl-2-oxa-7,12-diazatetraphene-8-carboximidic acid

12-methyl-1,3-dioxo-4-phenyl-2-oxa-7,12-diazatetraphene-8-carboximidic acid

C23H15N3O4 (397.1063)


   

(10r)-10-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxole-5-carbonyl}-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one

(10r)-10-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxole-5-carbonyl}-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one

C21H19NO7 (397.1161)


   

[(1s)-1-[(1r)-7-bromo-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]-2-phenylethyl](methyl)amine

[(1s)-1-[(1r)-7-bromo-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]-2-phenylethyl](methyl)amine

C21H24BrN3 (397.1153)


   

(4ar,12as)-3,10,11,12a-tetrahydroxy-6-methyl-1,4,12-trioxo-4a,5-dihydrotetracene-2-carboximidic acid

(4ar,12as)-3,10,11,12a-tetrahydroxy-6-methyl-1,4,12-trioxo-4a,5-dihydrotetracene-2-carboximidic acid

C20H15NO8 (397.0798)


   

(5r,8s,9r)-8-benzoyl-2-(5-ethylfuran-2-yl)-6,8,9-trihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one

(5r,8s,9r)-8-benzoyl-2-(5-ethylfuran-2-yl)-6,8,9-trihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one

C21H19NO7 (397.1161)


   

5-isopropyl-4-methoxy-1-(6,6,6-trichloro-3-methoxy-5-methylhex-2-enoyl)-5h-pyrrol-2-one

5-isopropyl-4-methoxy-1-(6,6,6-trichloro-3-methoxy-5-methylhex-2-enoyl)-5h-pyrrol-2-one

C16H22Cl3NO4 (397.0614)


   

(1-{7-bromo-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}-2-phenylethyl)(methyl)amine

(1-{7-bromo-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}-2-phenylethyl)(methyl)amine

C21H24BrN3 (397.1153)