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

Details

Stereochemistry ACHIRAL
Molecular Formula C31H47N3O4S
Molecular Weight 557.788
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[4-(Hydroxyamino)phenyl]-1-octadecyl-1H-benzimidazole-5-sulfonic acid

SMILES

CCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)S(O)(=O)=O)N=C1C3=CC=C(NO)C=C3

InChI

InChIKey=CEMPPTOFZHZONA-UHFFFAOYSA-N
InChI=1S/C31H47N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-34-30-23-22-28(39(36,37)38)25-29(30)32-31(34)26-18-20-27(33-35)21-19-26/h18-23,25,33,35H,2-17,24H2,1H3,(H,36,37,38)

HIDE SMILES / InChI

Approval Year

Name Type Language
1H-Benzimidazole-5-sulfonic acid, 2-[4-(hydroxyamino)phenyl]-1-octadecyl-
Preferred Name English
2-[4-(Hydroxyamino)phenyl]-1-octadecyl-1H-benzimidazole-5-sulfonic acid
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
302-832-2
Created by admin on Tue Apr 01 19:13:38 GMT 2025 , Edited by admin on Tue Apr 01 19:13:38 GMT 2025
PRIMARY
PUBCHEM
3023682
Created by admin on Tue Apr 01 19:13:38 GMT 2025 , Edited by admin on Tue Apr 01 19:13:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID40240721
Created by admin on Tue Apr 01 19:13:38 GMT 2025 , Edited by admin on Tue Apr 01 19:13:38 GMT 2025
PRIMARY
FDA UNII
DU4E3XAD3F
Created by admin on Tue Apr 01 19:13:38 GMT 2025 , Edited by admin on Tue Apr 01 19:13:38 GMT 2025
PRIMARY
CAS
94134-62-0
Created by admin on Tue Apr 01 19:13:38 GMT 2025 , Edited by admin on Tue Apr 01 19:13:38 GMT 2025
PRIMARY