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Rimonabant hydrochloride

CAT: 0607-A3766-1000Size: 1 gDry Ice: NoHazardous: No
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CAT#:0607-A3766-1000Size:1 g
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Description
CB1 receptor inverse agonist
CAS Number
158681-13-1
Product Name Alternative
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
Sequence
SR 141716A; SR 151716A
Field of Research
GPCR G protein Cannabinoid Receptor
Purity
0.9801
Form
White solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥20.05 mg/mL in DMSO
Smiles
CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl.Cl
Molecular Formula
C22H22Cl4N4O
Molecular Weight
500.25
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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
Loading 3D structure...
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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HY-14137-01Rimonabant (Hydrochloride)
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