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Details

Stereochemistry RACEMIC
Molecular Formula C21H21Cl3N4O
Molecular Weight 451.777
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROSONABANT

SMILES

ClC1=CC=C(C=C1)C2CC(=NN2C3=C(Cl)C=C(Cl)C=C3)C(=O)NN4CCCCC4

InChI

InChIKey=WMMMJGKFKKBRQR-UHFFFAOYSA-N
InChI=1S/C21H21Cl3N4O/c22-15-6-4-14(5-7-15)20-13-18(21(29)26-27-10-2-1-3-11-27)25-28(20)19-9-8-16(23)12-17(19)24/h4-9,12,20H,1-3,10-11,13H2,(H,26,29)

HIDE SMILES / InChI

Molecular Formula C21H21Cl3N4O
Molecular Weight 451.777
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 Fri Dec 15 17:17:10 UTC 2023
Edited
by admin
on Fri Dec 15 17:17:10 UTC 2023
Record UNII
7X5RY2T485
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROSONABANT
INN   WHO-DD  
INN  
Official Name English
(5RS)-5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-N-(PIPERIDIN-1-YL)-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXAMIDE
Systematic Name English
Rosonabant [WHO-DD]
Common Name English
rosonabant [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29728
Created by admin on Fri Dec 15 17:17:10 UTC 2023 , Edited by admin on Fri Dec 15 17:17:10 UTC 2023
Code System Code Type Description
SMS_ID
300000036917
Created by admin on Fri Dec 15 17:17:10 UTC 2023 , Edited by admin on Fri Dec 15 17:17:10 UTC 2023
PRIMARY
PUBCHEM
11316914
Created by admin on Fri Dec 15 17:17:10 UTC 2023 , Edited by admin on Fri Dec 15 17:17:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID201006613
Created by admin on Fri Dec 15 17:17:10 UTC 2023 , Edited by admin on Fri Dec 15 17:17:10 UTC 2023
PRIMARY
CAS
861151-12-4
Created by admin on Fri Dec 15 17:17:10 UTC 2023 , Edited by admin on Fri Dec 15 17:17:10 UTC 2023
PRIMARY
FDA UNII
7X5RY2T485
Created by admin on Fri Dec 15 17:17:10 UTC 2023 , Edited by admin on Fri Dec 15 17:17:10 UTC 2023
PRIMARY
WIKIPEDIA
Rosonabant
Created by admin on Fri Dec 15 17:17:10 UTC 2023 , Edited by admin on Fri Dec 15 17:17:10 UTC 2023
PRIMARY
INN
8616
Created by admin on Fri Dec 15 17:17:10 UTC 2023 , Edited by admin on Fri Dec 15 17:17:10 UTC 2023
PRIMARY
NCI_THESAURUS
C90659
Created by admin on Fri Dec 15 17:17:10 UTC 2023 , Edited by admin on Fri Dec 15 17:17:10 UTC 2023
PRIMARY
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TARGET -> INHIBITOR
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