OMAPATRILAT

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H24N2O4S2
Molecular Weight	408.535
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of OMAPATRILAT

Structure Search

SMILES

[H][C@]12CCC[C@H](N1C(=O)[C@H](CCS2)NC(=O)[C@@H](S)CC3=CC=CC=C3)C(O)=O

InChI

InChIKey=LVRLSYPNFFBYCZ-VGWMRTNUSA-N

InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H24N2O4S2
Molecular Weight	408.535
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:54:11 UTC 2023` Edited by `admin` on `Fri Dec 15 15:54:11 UTC 2023`
Record UNII	36NLI90E7T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OMAPATRILAT

Official Name

English

omapatrilat [INN]

Common Name

English

OMAPATRILATE

Common Name

English

OMAPATRILAT [USAN]

Common Name

English

OMAPATRILAT [MART.]

Common Name

English

BMS-186716-01

Code

English

BMS-186716

Code

English

(4S-(4.ALPHA.(R*),7.ALPHA.,10A.BETA.))-OCTAHYDRO-4-((2-MERCAPTO-1-OXO-3-PHENYLPROPYL)AMINO)-5-OXO-7H-PYRIDO(2,1-B)(1,3)THIAZEPINE-7-CARBOXYLIC ACID

Common Name

English

OMAPATRILAT [VANDF]

Common Name

English

Omapatrilat [WHO-DD]

Common Name

English

OMAPATRILAT [MI]

Common Name

English

(4S,7S,10aS)-Octahydro-4-[(S)-α-mercaptohydrocinnamamido]-5-oxo-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid

Common Name

English

OMAPATRILAT [JAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C247

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

NCI_THESAURUS

C783

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

Code System Code Type Description

CAS

167305-00-2

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

ChEMBL

CHEMBL289556

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

EPA CompTox

DTXSID80168273

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

WIKIPEDIA

Omapatrilat

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

MERCK INDEX

m8207

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

Merck Index

FDA UNII

36NLI90E7T

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

DRUG BANK

DB00886

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

INN

7714

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

NCI_THESAURUS

C1782

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

USAN

JJ-01

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

EVMPD

SUB12450MIG

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

PUBCHEM

656629

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

MESH

C106266

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

SMS_ID

100000078754

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

DRUG CENTRAL

1989

Created by admin on Fri Dec 15 15:54:11 UTC 2023 , Edited by admin on Fri Dec 15 15:54:11 UTC 2023

PRIMARY

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Qualification:

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METABOLITE -> PARENT

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ACTIVE MOIETY