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Details

Stereochemistry ACHIRAL
Molecular Formula C18H21N3O2S
Molecular Weight 343.443
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RABEPRAZOLE THIOETHER

SMILES

COCCCOC1=C(C)C(CSC2=NC3=CC=CC=C3N2)=NC=C1

InChI

InChIKey=BSXAHDOWMOSVAP-UHFFFAOYSA-N
InChI=1S/C18H21N3O2S/c1-13-16(19-9-8-17(13)23-11-5-10-22-2)12-24-18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C18H21N3O2S
Molecular Weight 343.443
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 09:40:19 UTC 2023
Edited
by admin
on Sat Dec 16 09:40:19 UTC 2023
Record UNII
304S7E320P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RABEPRAZOLE THIOETHER
Common Name English
RABEPRAZOLE SODIUM IMPURITY B [EP IMPURITY]
Common Name English
2-(((4-(3-METHOXYPROPOXY)-3-METHYLPYRIDIN-2-YL)METHYL)SULFANYL)-1H-BENZIMIDAZOLE
Systematic Name English
RABEPRAZOLE SULFIDE
Common Name English
RABEPRAZOLE RELATED COMPOUND E [USP IMPURITY]
USP-RS  
Common Name English
RABEPRAZOLE SULFIDE [USP IMPURITY]
Common Name English
RABEPRAZOLE-THIOETHER
Common Name English
RABEPRAZOLE RELATED COMPOUND E [USP-RS]
Common Name English
1H-BENZIMIDAZOLE, 2-(((4-(3-METHOXYPROPOXY)-3-METHYL-2-PYRIDINYL)METHYL)THIO)-
Systematic Name English
RABEPRAZOLE IMPURITY E
Common Name English
Code System Code Type Description
CAS
117977-21-6
Created by admin on Sat Dec 16 09:40:20 UTC 2023 , Edited by admin on Sat Dec 16 09:40:20 UTC 2023
PRIMARY
FDA UNII
304S7E320P
Created by admin on Sat Dec 16 09:40:20 UTC 2023 , Edited by admin on Sat Dec 16 09:40:20 UTC 2023
PRIMARY
PUBCHEM
9949996
Created by admin on Sat Dec 16 09:40:20 UTC 2023 , Edited by admin on Sat Dec 16 09:40:20 UTC 2023
PRIMARY
RS_ITEM_NUM
1598064
Created by admin on Sat Dec 16 09:40:20 UTC 2023 , Edited by admin on Sat Dec 16 09:40:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID20433250
Created by admin on Sat Dec 16 09:40:20 UTC 2023 , Edited by admin on Sat Dec 16 09:40:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
reduced mainly via a non-enzymatic pathway to thioether-rabeprazole (thioether-RPZ), with only minor CYP2C19 and CYP3A4 involvement
MAJOR
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP