5-O-DESMETHYLESOMEPRAZOLE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H17N3O3S
Molecular Weight	331.389
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=TWXDTVZNDQKCOS-QHCPKHFHSA-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)/t23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H17N3O3S
Molecular Weight	331.389
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:27:33 GMT 2025` Edited by `admin` on `Mon Mar 31 21:27:33 GMT 2025`
Record UNII	70LM138BBC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-HYDROXYESOMEPRAZOLE

Preferred Name

English

5-O-DESMETHYLESOMEPRAZOLE

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10189416

Created by admin on Mon Mar 31 21:27:33 GMT 2025 , Edited by admin on Mon Mar 31 21:27:33 GMT 2025

PRIMARY

FDA UNII

70LM138BBC

Created by admin on Mon Mar 31 21:27:33 GMT 2025 , Edited by admin on Mon Mar 31 21:27:33 GMT 2025

PRIMARY

CAS

358675-51-1

Created by admin on Mon Mar 31 21:27:33 GMT 2025 , Edited by admin on Mon Mar 31 21:27:33 GMT 2025

PRIMARY

PUBCHEM

29918914

Created by admin on Mon Mar 31 21:27:33 GMT 2025 , Edited by admin on Mon Mar 31 21:27:33 GMT 2025

PRIMARY

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