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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H16N4O2S
Molecular Weight 352.41
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((5-(3-HYDROXYPYRROL-1-YL)-1H-BENZIMIDAZOL-2-YL)SULFANYLMETHYL)-3-METHYL-PYRIDIN-4-OL

SMILES

CC1=C(O)C=CN=C1CSC2=NC3=C(N2)C=CC(=C3)N4C=CC(O)=C4

InChI

InChIKey=XLPHMVMCNXDYES-UHFFFAOYSA-N
InChI=1S/C18H16N4O2S/c1-11-16(19-6-4-17(11)24)10-25-18-20-14-3-2-12(8-15(14)21-18)22-7-5-13(23)9-22/h2-9,23H,10H2,1H3,(H,19,24)(H,20,21)

HIDE SMILES / InChI

Molecular Formula C18H16N4O2S
Molecular Weight 352.41
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 15:17:08 GMT 2023
Edited
by admin
on Sat Dec 16 15:17:08 GMT 2023
Record UNII
3X6VC4WV7F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((5-(3-HYDROXYPYRROL-1-YL)-1H-BENZIMIDAZOL-2-YL)SULFANYLMETHYL)-3-METHYL-PYRIDIN-4-OL
Systematic Name English
ILAPRAZOLE METABOLITE M1
Common Name English
Code System Code Type Description
PUBCHEM
155928811
Created by admin on Sat Dec 16 15:17:08 GMT 2023 , Edited by admin on Sat Dec 16 15:17:08 GMT 2023
PRIMARY
FDA UNII
3X6VC4WV7F
Created by admin on Sat Dec 16 15:17:08 GMT 2023 , Edited by admin on Sat Dec 16 15:17:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE