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Verapamil

CAT: 0931-T20656-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T20656-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52-53-9
Target
P-gp, Calcium Channel, Cytochromes P450
Related Pathways
Neuroscience, Membrane transporter/Ion channel, Metabolism
Purity
0.9993
Bioactivity
Verapamil (CP-16533-1) is a calcium channel blocker and an orally active and effective inhibitor of P-gp. Verapamil inhibits CYP3A4 and can be used in studies about the treatment of high blood pressure, heart arrhythmias, and angina research.
Smiles
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Molecular Formula
C27H38N2O4
Molecular Weight
454.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Verapamil

2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile is a tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. It is a nitrile, an aromatic ether, a polyether and a tertiary amino compound.

CAS Number52-53-9
PubChem CID2520
IUPAC Name2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
Molecular FormulaC27H38N2O4
Molecular Weight454.6
XLogP3.8
Topological Polar Surface Area64
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count33
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
InChI
InChI=1S/C27H38N2O4/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
InChIKey
SGTNSNPWRIOYBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Verapamil
CAS: 52-53-9
CID: 2520
Formula: C27H38N2O4
MW: 454.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.6
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass454.28315770
Monoisotopic Mass454.28315770
Topological Polar Surface Area64 Ų
Heavy Atom Count33
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 Count1
Compound Is CanonicalizedYes

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