U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C14H12ClN3OS
Molecular Weight 305.783
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(((4-CHLORO-3-METHYLPYRIDIN-2-YL)METHYL)SULFINYL)-1H-BENZIMIDAZOLE, (±)-

SMILES

CC1=C(Cl)C=CN=C1C[S+]([O-])C2=NC3=CC=CC=C3N2

InChI

InChIKey=RAPCQINSRSZSKF-UHFFFAOYSA-N
InChI=1S/C14H12ClN3OS/c1-9-10(15)6-7-16-13(9)8-20(19)14-17-11-4-2-3-5-12(11)18-14/h2-7H,8H2,1H3,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C14H12ClN3OS
Molecular Weight 305.783
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 08:24:48 UTC 2023
Edited
by admin
on Sat Dec 16 08:24:48 UTC 2023
Record UNII
2YP19K112N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(((4-CHLORO-3-METHYLPYRIDIN-2-YL)METHYL)SULFINYL)-1H-BENZIMIDAZOLE, (±)-
Systematic Name English
LANSOPRAZOLE IMPURITY F [EP IMPURITY]
Common Name English
RABEPRAZOLE RELATED COMPOUND F [USP IMPURITY]
Common Name English
RABEPRAZOLE RELATED COMPOUND F
USP-RS  
Common Name English
2-(((4-CHLORO-3-METHYLPYRIDIN-2-YL)METHYL)SULFINYL)-1H-BENZIMIDAZOLE, (RS)-
Systematic Name English
RABEPRAZOLE SODIUM IMPURITY H [EP IMPURITY]
Common Name English
CHLORO ANALOG [USP IMPURITY]
Common Name English
2-((RS)-((4-CHLORO-3-METHYLPYRIDIN-2-YL)METHYL)SULFINYL)-1H-BENZIMIDAZOLE
Systematic Name English
1H-BENZIMIDAZOLE, 2-(((4-CHLORO-3-METHYL-2-PYRIDINYL)METHYL)SULFINYL)-
Systematic Name English
RABEPRAZOLE RELATED COMPOUND F [USP-RS]
Common Name English
Code System Code Type Description
CAS
168167-42-8
Created by admin on Sat Dec 16 08:24:48 UTC 2023 , Edited by admin on Sat Dec 16 08:24:48 UTC 2023
PRIMARY
FDA UNII
2YP19K112N
Created by admin on Sat Dec 16 08:24:48 UTC 2023 , Edited by admin on Sat Dec 16 08:24:48 UTC 2023
PRIMARY
PUBCHEM
11335757
Created by admin on Sat Dec 16 08:24:48 UTC 2023 , Edited by admin on Sat Dec 16 08:24:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID501158879
Created by admin on Sat Dec 16 08:24:48 UTC 2023 , Edited by admin on Sat Dec 16 08:24:48 UTC 2023
PRIMARY
RS_ITEM_NUM
1598075
Created by admin on Sat Dec 16 08:24:48 UTC 2023 , Edited by admin on Sat Dec 16 08:24:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP