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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H11N3O2S
Molecular Weight 237.278
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(S-METHYL) ALBENDAZOLE

SMILES

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

InChI

InChIKey=KOELMGUJAFAZST-UHFFFAOYSA-N
InChI=1S/C10H11N3O2S/c1-15-10(14)13-9-11-7-4-3-6(16-2)5-8(7)12-9/h3-5H,1-2H3,(H2,11,12,13,14)

HIDE SMILES / InChI

Molecular Formula C10H11N3O2S
Molecular Weight 237.278
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 17:46:08 GMT 2023
Edited
by admin
on Fri Dec 15 17:46:08 GMT 2023
Record UNII
32H4W82PQB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(S-METHYL) ALBENDAZOLE
Common Name English
CARBAMIC ACID, (5-(METHYLTHIO)-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTER
Systematic Name English
METHYL (5-(METHYLTHIO)-1H-BENZIMIDAZOL-2-YL)CARBAMATE
Common Name English
ALBENDAZOLE IMPURITY F [EP IMPURITY]
Common Name English
METHYL N-(5-(METHYLSULFANYL)-1H-BENZIMIDAZOL-2-YL)CARBAMATE
Systematic Name English
Code System Code Type Description
PUBCHEM
135346
Created by admin on Fri Dec 15 17:46:08 GMT 2023 , Edited by admin on Fri Dec 15 17:46:08 GMT 2023
PRIMARY
FDA UNII
32H4W82PQB
Created by admin on Fri Dec 15 17:46:08 GMT 2023 , Edited by admin on Fri Dec 15 17:46:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID00230825
Created by admin on Fri Dec 15 17:46:08 GMT 2023 , Edited by admin on Fri Dec 15 17:46:08 GMT 2023
PRIMARY
CAS
80983-45-5
Created by admin on Fri Dec 15 17:46:08 GMT 2023 , Edited by admin on Fri Dec 15 17:46:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP