5-O-DESMETHYLOMEPRAZOLE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H17N3O3S
Molecular Weight	331.389
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-O-DESMETHYLOMEPRAZOLE

Structure Search

SMILES

COC1=C(C)C=NC(C[S+]([O-])C2=NC3=C(N2)C=CC(O)=C3)=C1C

InChI

InChIKey=TWXDTVZNDQKCOS-UHFFFAOYSA-N

InChI=1S/C16H17N3O3S/c1-9-7-17-14(10(2)15(9)22-3)8-23(21)16-18-12-5-4-11(20)6-13(12)19-16/h4-7,20H,8H2,1-3H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula	C16H17N3O3S
Molecular Weight	331.389
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:22:00 GMT 2025` Edited by `admin` on `Wed Apr 02 08:22:00 GMT 2025`
Record UNII	QH71GLR6GT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-O-DESMETHYLOMEPRAZOLE

Common Name

English

1H-BENZIMIDAZOL-6-OL, 2-(((4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL)SULFINYL)-

Preferred Name

English

5-O-DESMETHYL OMEPRAZOLE

Common Name

English

5-O-DESMETHYL-OMEPRAZOLE

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

830021

Created by admin on Wed Apr 02 08:22:00 GMT 2025 , Edited by admin on Wed Apr 02 08:22:00 GMT 2025

Code System Code Type Description

FDA UNII

QH71GLR6GT

Created by admin on Wed Apr 02 08:22:00 GMT 2025 , Edited by admin on Wed Apr 02 08:22:00 GMT 2025

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CAS

151602-49-2

Created by admin on Wed Apr 02 08:22:00 GMT 2025 , Edited by admin on Wed Apr 02 08:22:00 GMT 2025

PRIMARY

EPA CompTox

DTXSID20439414

Created by admin on Wed Apr 02 08:22:00 GMT 2025 , Edited by admin on Wed Apr 02 08:22:00 GMT 2025

PRIMARY

PUBCHEM

10404448

Created by admin on Wed Apr 02 08:22:00 GMT 2025 , Edited by admin on Wed Apr 02 08:22:00 GMT 2025

PRIMARY

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					QH71GLR6GT

5-O-DESMETHYLOMEPRAZOLE

ACTIVE MOIETY

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