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Chemical structure of Verapamil HCl

GC17106

Verapamil HCl

Also known as 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride

Verapamil HCl ((±)-Verapamil HCl) is a calcium channel blocker and a potent and orally active first-generation P-glycoprotein (P-gp) inhibitor

ChemicalCAS152-11-4MW491.06FormulaC27H39ClN2O4
CAS number
152-11-4
Molecular weight
491.06
Formula
C27H39ClN2O4
Solubility
≥ 14·45mg/mL in DMSO, ≥ 8·95 mg/mL in EtOH with ultrasonic, ≥ 6·41 mg/mL in Water with ultrasonic
InChIKey
DOQPXTMNIUCOSY-UHFFFAOYSA-N
Catalogue number
GC17106
Brand
GLPBIO
Computed properties PubChem CID 62969 · TPSA 64 Ų · H-bond donors 1 · H-bond acceptors 6
TPSA
64 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
34

SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

Computed descriptors from PubChem (CID 62969), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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