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Rimonabant hydrochloride

CAT: 1568-C03411-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C03411-100mgSize:100 mg
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CAS Number
158681-13-1
Synonyms
SR 141716A hydrochloride
Target
Cannabinoid Receptor
Applications
Neuronal Signaling
Molecular Formula
C22H21Cl3N4O.ClH
Additionnal Information
Rimonabant hydrochloride (SR 141716A hydrochloride) is a highly potent and selective antagonist of the central cannabinoid receptor (CB1), with a Ki of 1.8 nM. It is an anorectic anti-obesity drug with potential to treat obesity and cardiovascular risk factors.

Chemical Information

Rimonabant Hydrochloride

See also: Rimonabant (has active moiety).

CAS Number158681-13-1
PubChem CID104849
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
Molecular FormulaC22H22Cl4N4O
Molecular Weight500.2
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity583
SMILES
CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl.Cl
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
InChIKey
REOYOKXLUFHOBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rimonabant Hydrochloride
CAS: 158681-13-1
CID: 104849
Formula: C22H22Cl4N4O
MW: 500.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass500.051822
Monoisotopic Mass498.054772
Topological Polar Surface Area50.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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