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Virodhamine (hydrochloride)

CAT: 0804-HY-128040Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-128040Size:1 Each
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Description
Virodhamine (hydrochloride) is a cannabinoid CB1 receptor partial agonist and cannabinoid CB2 receptor full agonist[1].
CAS Number
443129-35-9
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Cannabinoid Receptor; Endogenous Metabolite
Type
Reference compound
Related Pathways
GPCR/G Protein; Metabolic Enzyme/Protease; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/virodhamine-hydrochloride.html
Solubility
10 mM in DMSO
Smiles
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(OCCN)=O.Cl
Molecular Formula
C22H38ClNO2
Molecular Weight
384.00
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]H Kozłowska, et al. Virodhamine relaxes the human pulmonary artery through the endothelial cannabinoid receptor and indirectly through a COX product. Br J Pharmacol. 2008, 155, 7.|[2]H Kozłowska, et al. Virodhamine relaxes the human pulmonary artery through the endothelial cannabinoid receptor and indirectly through a COX product. Br J Pharmacol. 2008, 155, 7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

Virodhamine hydrochloride
CAS Number443129-35-9
PubChem CID16079019
IUPAC Name2-aminoethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate;hydrochloride
Molecular FormulaC22H38ClNO2
Molecular Weight384.0
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Heavy Atom Count26
Formal Charge0
Complexity408
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCN.Cl
InChI
InChI=1S/C22H37NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23;/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3;1H/b7-6-,10-9-,13-12-,16-15-;
InChIKey
BNTZVCDZOZGRSZ-XVSDJDOKSA-N
Chemical Structure
2D Structure
2D structure of Virodhamine hydrochloride
CAS: 443129-35-9
CID: 16079019
Formula: C22H38ClNO2
MW: 384.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Exact Mass383.2591071
Monoisotopic Mass383.2591071
Topological Polar Surface Area52.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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