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Details

Stereochemistry ACHIRAL
Molecular Formula C19H19N4O2S
Molecular Weight 367.445
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 2-(2-(HYDROXYSULFANYLMETHYL)-4-METHOXY-3-METHYL-PYRIDIN-1-IUM-1-YL)-5-PYRROL-1-YL-1H-BENZIMIDAZOLE

SMILES

COC1=C(C)C(CSO)=[N+](C=C1)C2=NC3=C(N2)C=CC(=C3)N4C=CC=C4

InChI

InChIKey=PEBCTLLAGBMUSZ-UHFFFAOYSA-O
InChI=1S/C19H18N4O2S/c1-13-17(12-26-24)23(10-7-18(13)25-2)19-20-15-6-5-14(11-16(15)21-19)22-8-3-4-9-22/h3-11H,12H2,1-2H3,(H-,20,21,24)/p+1

HIDE SMILES / InChI

Molecular Formula C19H18N4O2S
Molecular Weight 366.437
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 14:50:52 UTC 2023
Edited
by admin
on Sat Dec 16 14:50:52 UTC 2023
Record UNII
TG9WX3NE2H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-(HYDROXYSULFANYLMETHYL)-4-METHOXY-3-METHYL-PYRIDIN-1-IUM-1-YL)-5-PYRROL-1-YL-1H-BENZIMIDAZOLE
Systematic Name English
ILAPRAZOLE METABOLITE ACTIVE SULFENIC ACID
Common Name English
Code System Code Type Description
FDA UNII
TG9WX3NE2H
Created by admin on Sat Dec 16 14:50:52 UTC 2023 , Edited by admin on Sat Dec 16 14:50:52 UTC 2023
PRIMARY
PUBCHEM
156613871
Created by admin on Sat Dec 16 14:50:52 UTC 2023 , Edited by admin on Sat Dec 16 14:50:52 UTC 2023
PRIMARY
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE