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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H19N3O2S
Molecular Weight 329.417
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYL RABEPRAZOLE THIOETHER

SMILES

CC1=C(OCCCO)C=CN=C1CSC2=NC3=CC=CC=C3N2

InChI

InChIKey=WKTPBAPTLLDMKZ-UHFFFAOYSA-N
InChI=1S/C17H19N3O2S/c1-12-15(18-8-7-16(12)22-10-4-9-21)11-23-17-19-13-5-2-3-6-14(13)20-17/h2-3,5-8,21H,4,9-11H2,1H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C17H19N3O2S
Molecular Weight 329.417
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:03:51 UTC 2023
Edited
by admin
on Sat Dec 16 09:03:51 UTC 2023
Record UNII
60DBG5I1US
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESMETHYL RABEPRAZOLE THIOETHER
Common Name English
1-PROPANOL, 3-((2-((1H-BENZIMIDAZOL-2-YLTHIO)METHYL)-3-METHYL-4-PYRIDINYL)OXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
60DBG5I1US
Created by admin on Sat Dec 16 09:03:51 UTC 2023 , Edited by admin on Sat Dec 16 09:03:51 UTC 2023
PRIMARY
CAS
117976-91-7
Created by admin on Sat Dec 16 09:03:51 UTC 2023 , Edited by admin on Sat Dec 16 09:03:51 UTC 2023
PRIMARY
PUBCHEM
15166260
Created by admin on Sat Dec 16 09:03:51 UTC 2023 , Edited by admin on Sat Dec 16 09:03:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID30569438
Created by admin on Sat Dec 16 09:03:51 UTC 2023 , Edited by admin on Sat Dec 16 09:03:51 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE