RIMONABANT HYDROCHLORIDE

/static/temp/default.svg Search structure
Keyword(s): Human Neurotoxin
Molecule Category Salt-form
UNII HL0V2LQZ09
EPA CompTox DTXSID20166495

Structure

InChI Key REOYOKXLUFHOBV-UHFFFAOYSA-N
Smiles Cl.CC1=C(N(N=C1C(=O)NN1CCCCC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1
InChI
InChI=1S/C22H21Cl3N4O.ClH/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15;/h5-10,13H,2-4,11-12H2,1H3,(H,27,30);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22Cl4N4O
Molecular Weight 498.05
AlogP 6.94
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 53.65
Heavy Atoms 31.0

Cross References

Resources Reference
CAS NUMBER 158681-13-1
NORMAN SUSDAT
FDA SRS HL0V2LQZ09
CONTENTS