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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H19N3O3S
Molecular Weight 321.395
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL N-(5-((2-METHYL-4-OXOPENTAN-2-YL)SULFANYL)-1H-BENZIMIDAZOL-2-YL)CARBAMATE

SMILES

COC(=O)NC1=NC2=CC(SC(C)(C)CC(C)=O)=CC=C2N1

InChI

InChIKey=IUCKYMIDYXFHMR-UHFFFAOYSA-N
InChI=1S/C15H19N3O3S/c1-9(19)8-15(2,3)22-10-5-6-11-12(7-10)17-13(16-11)18-14(20)21-4/h5-7H,8H2,1-4H3,(H2,16,17,18,20)

HIDE SMILES / InChI

Molecular Formula C15H19N3O3S
Molecular Weight 321.395
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 15:05:12 UTC 2023
Edited
by admin
on Sat Dec 16 15:05:12 UTC 2023
Record UNII
ZTE7V7A3A2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL N-(5-((2-METHYL-4-OXOPENTAN-2-YL)SULFANYL)-1H-BENZIMIDAZOL-2-YL)CARBAMATE
Systematic Name English
CARBAMIC ACID, N-(6-((1,1-DIMETHYL-3-OXOBUTYL)THIO)-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTER
Systematic Name English
ALBENDAZOLE IMPURITY H [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
ZTE7V7A3A2
Created by admin on Sat Dec 16 15:05:13 UTC 2023 , Edited by admin on Sat Dec 16 15:05:13 UTC 2023
PRIMARY
CAS
2469260-71-5
Created by admin on Sat Dec 16 15:05:13 UTC 2023 , Edited by admin on Sat Dec 16 15:05:13 UTC 2023
PRIMARY
PUBCHEM
139025618
Created by admin on Sat Dec 16 15:05:13 UTC 2023 , Edited by admin on Sat Dec 16 15:05:13 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP