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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H21ClF3N5O2S
Molecular Weight 547.98
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ZEVAQUENABANT

SMILES

[H][C@@]1(CN(N=C1C2=CC=C(Cl)C=C2)C(\NC(C)=N)=N\S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChIKey=NLXIJZHFEOSWPU-JOCHJYFZSA-N
InChI=1S/C25H21ClF3N5O2S/c1-16(30)31-24(33-37(35,36)21-13-9-19(10-14-21)25(27,28)29)34-15-22(17-5-3-2-4-6-17)23(32-34)18-7-11-20(26)12-8-18/h2-14,22H,15H2,1H3,(H2,30,31,33)/t22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H21ClF3N5O2S
Molecular Weight 547.98
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:10:56 GMT 2023
Edited
by admin
on Sat Dec 16 18:10:56 GMT 2023
Record UNII
T7JYL5VB4H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZEVAQUENABANT
INN  
Official Name English
1H-PYRAZOLE-1-CARBOXIMIDAMIDE, 3-(4-CHLOROPHENYL)-4,5-DIHYDRO-N'-(1-IMINOETHYL)-4-PHENYL-N-((4-(TRIFLUOROMETHYL)PHENYL)SULFONYL)-, (4S)-
Systematic Name English
zevaquenabant [INN]
Common Name English
(4S)-N-(1-AMINOETHYLIDENE)-3-(4-CHLOROPHENYL)-4-PHENYL-N'-(4-(TRIFLUOROMETHYL)BENZENE-1-SULFONYL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXIMIDAMIDE
Systematic Name English
(4S)-5-(4-CHLOROPHENYL)-N-ETHANIMIDOYL-4-PHENYL-N'-(4-(TRIFLUOROMETHYL)PHENYL)SULFONYL-3,4-DIHYDROPYRAZOLE-2-CARBOXAMIDINE
Systematic Name English
Code System Code Type Description
INN
11922
Created by admin on Sat Dec 16 18:10:57 GMT 2023 , Edited by admin on Sat Dec 16 18:10:57 GMT 2023
PRIMARY
SMS_ID
300000042038
Created by admin on Sat Dec 16 18:10:57 GMT 2023 , Edited by admin on Sat Dec 16 18:10:57 GMT 2023
PRIMARY
NCI_THESAURUS
C188627
Created by admin on Sat Dec 16 18:10:57 GMT 2023 , Edited by admin on Sat Dec 16 18:10:57 GMT 2023
PRIMARY
PUBCHEM
122525002
Created by admin on Sat Dec 16 18:10:57 GMT 2023 , Edited by admin on Sat Dec 16 18:10:57 GMT 2023
PRIMARY
FDA UNII
T7JYL5VB4H
Created by admin on Sat Dec 16 18:10:57 GMT 2023 , Edited by admin on Sat Dec 16 18:10:57 GMT 2023
PRIMARY
CAS
1998760-00-1
Created by admin on Sat Dec 16 18:10:57 GMT 2023 , Edited by admin on Sat Dec 16 18:10:57 GMT 2023
PRIMARY
CAS
2244799-86-6
Created by admin on Sat Dec 16 18:10:57 GMT 2023 , Edited by admin on Sat Dec 16 18:10:57 GMT 2023
ALTERNATIVE
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY