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Carmoxirole hydrochloride

CAT: 0931-T10683-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T10683-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115092-85-8
Target
Dopamine Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9962
Bioactivity
Carmoxirole hydrochloride (EMD 45609 hydrochloride) is a selective dopamine D2 receptor agonist with in vivo antihypertensive activity.
Smiles
Cl.OC(=O)c1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1
Molecular Formula
C24H27ClN2O2
Molecular Weight
410.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Carmoxirole hydrochloride

Carmoxirole hydrochloride is a hydrochloride salt obtained by reaction of carmoxirole with one equivalent of hydrochloric acid. Selective, peripherally acting dopamine D2 receptor agonist. Modulates noradrenalin release and sympathetic activation. Displays antihypertensive properties in vivo. It has a role as an antihypertensive agent, a platelet aggregation inhibitor and a dopamine agonist. It contains a carmoxirole(1+).

CAS Number115092-85-8
PubChem CID9822866
IUPAC Name3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole-5-carboxylic acid;hydrochloride
Molecular FormulaC24H27ClN2O2
Molecular Weight410.9
Topological Polar Surface Area56.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity555
SMILES
C1CN(CC=C1C2=CC=CC=C2)CCCCC3=CNC4=C3C=C(C=C4)C(=O)O.Cl
InChI
InChI=1S/C24H26N2O2.ClH/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18;/h1-3,6-7,9-11,16-17,25H,4-5,8,12-15H2,(H,27,28);1H
InChIKey
LRJUHOBITQUXIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carmoxirole hydrochloride
CAS: 115092-85-8
CID: 9822866
Formula: C24H27ClN2O2
MW: 410.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass410.1761058
Monoisotopic Mass410.1761058
Topological Polar Surface Area56.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity555
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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