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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19N3O4S
Molecular Weight 361.415
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5'-HYDROXYOMEPRAZOLE, R-

SMILES

COC1=CC2=C(NC(=N2)[S@+]([O-])CC3=C(C)C(OC)=C(CO)C=N3)C=C1

InChI

InChIKey=CMZHQFXXAAIBKE-RUZDIDTESA-N
InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)/t25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H19N3O4S
Molecular Weight 361.415
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 Fri Dec 15 17:14:21 GMT 2023
Edited
by admin
on Fri Dec 15 17:14:21 GMT 2023
Record UNII
JOT1NT1B70
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5'-HYDROXYOMEPRAZOLE, R-
Common Name English
3-PYRIDINEMETHANOL, 4-METHOXY-6-(((R)-(6-METHOXY-1H-BENZIMIDAZOL-2-YL)SULFINYL)METHYL)-5-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10173315
Created by admin on Fri Dec 15 17:14:21 GMT 2023 , Edited by admin on Fri Dec 15 17:14:21 GMT 2023
PRIMARY
FDA UNII
JOT1NT1B70
Created by admin on Fri Dec 15 17:14:21 GMT 2023 , Edited by admin on Fri Dec 15 17:14:21 GMT 2023
PRIMARY
PUBCHEM
40507392
Created by admin on Fri Dec 15 17:14:21 GMT 2023 , Edited by admin on Fri Dec 15 17:14:21 GMT 2023
PRIMARY
CAS
196489-26-6
Created by admin on Fri Dec 15 17:14:21 GMT 2023 , Edited by admin on Fri Dec 15 17:14:21 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE