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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H13BrCl2FN3O4S
Molecular Weight 573.219
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Depulfavirine

SMILES

NS(=O)(=O)C1=CC=C(NC(=O)CC2=C(F)C(OC3=CC(Cl)=CC(=C3)C#N)=C(Br)C=C2)C(Cl)=C1

InChI

InChIKey=SBUUICLVCQQMFP-UHFFFAOYSA-N
InChI=1S/C21H13BrCl2FN3O4S/c22-16-3-1-12(20(25)21(16)32-14-6-11(10-26)5-13(23)8-14)7-19(29)28-18-4-2-15(9-17(18)24)33(27,30)31/h1-6,8-9H,7H2,(H,28,29)(H2,27,30,31)

HIDE SMILES / InChI

Molecular Formula C21H13BrCl2FN3O4S
Molecular Weight 573.219
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 18:22:04 UTC 2023
Edited
by admin
on Sat Dec 16 18:22:04 UTC 2023
Record UNII
ZP6H7RDZ5Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Depulfavirine
INN  
Official Name English
RO-4970335
Code English
N-[4-(Aminosulfonyl)-2-chlorophenyl]-4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorobenzeneacetamide
Systematic Name English
VM1500A
Code English
2-[4-Bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
Systematic Name English
VM-1500A
Code English
RO0335
Code English
RO4970335
Code English
RO-0335
Code English
Depulfavirine [INN]
Common Name English
Benzeneacetamide, N-[4-(aminosulfonyl)-2-chlorophenyl]-4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluoro-
Systematic Name English
Code System Code Type Description
CAS
867365-76-2
Created by admin on Sat Dec 16 18:22:05 UTC 2023 , Edited by admin on Sat Dec 16 18:22:05 UTC 2023
PRIMARY
INN
12175
Created by admin on Sat Dec 16 18:22:05 UTC 2023 , Edited by admin on Sat Dec 16 18:22:05 UTC 2023
PRIMARY
PUBCHEM
11599486
Created by admin on Sat Dec 16 18:22:05 UTC 2023 , Edited by admin on Sat Dec 16 18:22:05 UTC 2023
PRIMARY
FDA UNII
ZP6H7RDZ5Q
Created by admin on Sat Dec 16 18:22:05 UTC 2023 , Edited by admin on Sat Dec 16 18:22:05 UTC 2023
PRIMARY
NCI_THESAURUS
C190504
Created by admin on Sat Dec 16 18:22:05 UTC 2023 , Edited by admin on Sat Dec 16 18:22:05 UTC 2023
PRIMARY
SMS_ID
300000045572
Created by admin on Sat Dec 16 18:22:05 UTC 2023 , Edited by admin on Sat Dec 16 18:22:05 UTC 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
TARGET -> INHIBITOR
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY