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Verapamil hydrochloride

CAT: 0862-GP4575-1gSize: 1 gDry Ice: NoHazardous: Yes
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CAT#:0862-GP4575-1gSize:1 g
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CAS Number
152-11-4
EC Number
205-800-5
UN Code
2811
MDL Number
MFCD00055208
HS Code
29269070
Purity
98.00%
Molecular Formula
C27H38N2O4 · HCl
Molecular Weight
491.07
Storage Conditions
+4°C
Hazardous Class
True

Chemical Information

Verapamil Hydrochloride

Verapamil Hydrochloride is the hydrochloride form of Verapamil, which is a phenylalkylamine calcium channel blocking agent. Verapamil inhibits the transmembrane influx of extracellular calcium ions into myocardial and vascular smooth muscle cells, causing dilatation of the main coronary and systemic arteries and decreasing myocardial contractility. This agent also inhibits the drug efflux pump P-glycoprotein which is overexpressed in some multi-drug resistant tumors and may improve the efficacy of some antineoplastic agents. (NCI04)

CAS Number152-11-4
PubChem CID62969
IUPAC Name2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
Molecular FormulaC27H39ClN2O4
Molecular Weight491.1
Topological Polar Surface Area64
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count34
Formal Charge0
Complexity606
SMILES
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
InChI
InChI=1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H
InChIKey
DOQPXTMNIUCOSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Verapamil Hydrochloride
CAS: 152-11-4
CID: 62969
Formula: C27H39ClN2O4
MW: 491.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass490.2598354
Monoisotopic Mass490.2598354
Topological Polar Surface Area64 Ų
Heavy Atom Count34
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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