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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H22N4OS
Molecular Weight 342.458
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(((4-METHOXY-3-METHYL-2-PYRIDINYL)METHYL)THIO)-N-PROPYL-1H-BENZIMIDAZOL-6-AMINE

SMILES

CCCNC1=CC2=C(NC(SCC3=NC=CC(OC)=C3C)=N2)C=C1

InChI

InChIKey=AFBUPCHMYUDPLC-UHFFFAOYSA-N
InChI=1S/C18H22N4OS/c1-4-8-19-13-5-6-14-15(10-13)22-18(21-14)24-11-16-12(2)17(23-3)7-9-20-16/h5-7,9-10,19H,4,8,11H2,1-3H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C18H22N4OS
Molecular Weight 342.458
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 14:11:23 UTC 2023
Edited
by admin
on Sat Dec 16 14:11:23 UTC 2023
Record UNII
5FY84T2AYX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(((4-METHOXY-3-METHYL-2-PYRIDINYL)METHYL)THIO)-N-PROPYL-1H-BENZIMIDAZOL-6-AMINE
Common Name English
1H-BENZIMIDAZOL-6-AMINE, 2-(((4-METHOXY-3-METHYL-2-PYRIDINYL)METHYL)THIO)-N-PROPYL-
Systematic Name English
ILAPRAZOLE METABOLITE M9
Common Name English
Code System Code Type Description
FDA UNII
5FY84T2AYX
Created by admin on Sat Dec 16 14:11:23 UTC 2023 , Edited by admin on Sat Dec 16 14:11:23 UTC 2023
PRIMARY
CAS
1298015-58-3
Created by admin on Sat Dec 16 14:11:23 UTC 2023 , Edited by admin on Sat Dec 16 14:11:23 UTC 2023
PRIMARY
PUBCHEM
146931354
Created by admin on Sat Dec 16 14:11:23 UTC 2023 , Edited by admin on Sat Dec 16 14:11:23 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE