4-DESMETHOXY-4-CHLOROOMEPRAZOLE

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H16ClN3O2S
Molecular Weight	349.835
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-DESMETHOXY-4-CHLOROOMEPRAZOLE

Structure Search

SMILES

COC1=CC=C2NC(=NC2=C1)[S+]([O-])CC3=NC=C(C)C(Cl)=C3C

InChI

InChIKey=LZEPUBIBIWJUSW-UHFFFAOYSA-N

InChI=1S/C16H16ClN3O2S/c1-9-7-18-14(10(2)15(9)17)8-23(21)16-19-12-5-4-11(22-3)6-13(12)20-16/h4-7H,8H2,1-3H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula	C16H16ClN3O2S
Molecular Weight	349.835
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 `Sat Dec 16 10:59:09 UTC 2023` Edited by `admin` on `Sat Dec 16 10:59:09 UTC 2023`
Record UNII	N2326913HU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-DESMETHOXY-4-CHLOROOMEPRAZOLE

Common Name

English

OMEPRAZOLE IMPURITY H [EP IMPURITY]

Common Name

English

4-DESMETHOXY-4-CHLORO OMEPRAZOLE

Common Name

English

(±)-4-DESMETHOXY-4-CHLORO OMEPRAZOLE

Common Name

English

2-((RS)-((4-CHLORO-3,5-DIMETHYLPYRIDIN-2-YL)METHYL)SULFINYL)-5-METHOXY-1H-BENZIMIDAZOLE

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

N2326913HU

Created by admin on Sat Dec 16 10:59:09 UTC 2023 , Edited by admin on Sat Dec 16 10:59:09 UTC 2023

PRIMARY

CAS

863029-89-4

Created by admin on Sat Dec 16 10:59:09 UTC 2023 , Edited by admin on Sat Dec 16 10:59:09 UTC 2023

PRIMARY

PUBCHEM

20695566

Created by admin on Sat Dec 16 10:59:09 UTC 2023 , Edited by admin on Sat Dec 16 10:59:09 UTC 2023

PRIMARY

Related Record Type Details


					KG60484QX9

OMEPRAZOLE

PARENT -> IMPURITY

Comments:

UNSPECIFIED

Qualification:

EP

Amount: