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

Details

Stereochemistry RACEMIC
Molecular Formula C20H13F6N3O4S
Molecular Weight 505.39
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Monepantel Sulfone, rac-

SMILES

CC(COC1=C(C=CC(=C1)C#N)C(F)(F)F)(NC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C#N

InChI

InChIKey=JTMLMJOBCBXFES-UHFFFAOYSA-N
InChI=1S/C20H13F6N3O4S/c1-18(10-28,11-33-16-8-12(9-27)2-7-15(16)19(21,22)23)29-17(30)13-3-5-14(6-4-13)34(31,32)20(24,25)26/h2-8H,11H2,1H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula C20H13F6N3O4S
Molecular Weight 505.39
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:58:55 GMT 2023
Edited
by admin
on Sat Dec 16 19:58:55 GMT 2023
Record UNII
HXC5RGC2GW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Monepantel Sulfone, rac-
Common Name English
rac-Monepantel Sulfone
Common Name English
racemic-Monepantel Sulfone
Common Name English
Benzamide, N-[1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl]-4-[(trifluoromethyl)sulfonyl]-
Systematic Name English
N-[1-Cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl]-4-[(trifluoromethyl)sulfonyl]benzamide
Systematic Name English
Code System Code Type Description
PUBCHEM
57564962
Created by admin on Sat Dec 16 19:58:55 GMT 2023 , Edited by admin on Sat Dec 16 19:58:55 GMT 2023
PRIMARY
CAS
851976-52-8
Created by admin on Sat Dec 16 19:58:55 GMT 2023 , Edited by admin on Sat Dec 16 19:58:55 GMT 2023
PRIMARY
FDA UNII
HXC5RGC2GW
Created by admin on Sat Dec 16 19:58:55 GMT 2023 , Edited by admin on Sat Dec 16 19:58:55 GMT 2023
PRIMARY