chempirical

Verapamil

C27H38N2O4CAS 52-53-9454.61 g/mol

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EtherNitrileTertiary amine

Properties

Molecular formula
C27H38N2O4
Molar mass
454.61 g/mol
Exact mass
454.2832 Da
Melting point
below 25 °C
Boiling point
243–246 °C
logP
5.09Crippen estimate
Polar surface area
64.0 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
13

Identifiers

CAS number
52-53-9
SMILES
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
InChIKey
SGTNSNPWRIOYBX-UHFFFAOYSA-N
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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • Benzeneacetonitrile, α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-α-(1-methylethyl)-
  • Valeronitrile, 5-[(3,4-dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-
  • α-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile
  • D 365
  • CP 16533-1
  • 5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxy phenyl)-2-isopropylvaleronitrile
  • Iproveratril
  • NSC 272306NA
  • (±)-Verapamil
  • Dl-Verapamil
  • R,S-Verapamil
  • VPL
  • Lekoptin
  • 2-(3,4-Dimethoxyphenyl)-5-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-2-isopropylpentanenitrile
  • 2-(3,4-Dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
  • 2-(3,4-Dimethoxyphenyl)-5-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-2-(propan-2-yl)pentanenitrile

Work with Verapamil

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Verapamil hydrochloride152-11-496 % similar Verapamil hydrochloride23313-68-096 % similar 1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine hydrochloride (1:2)165377-44-640 % similar Benzenepropanenitrile, α-amino-3,4-dimethoxy-α-methyl-, hydrochloride (1:1), (αS)-2544-13-038 % similar 3,4-Dimethoxybenzeneacetonitrile93-17-437 % similar 3,4-Dimethoxyphenethylamine120-20-735 % similar 2-(3,4-Dimethoxyphenyl)ethanol7417-21-235 % similar Cilomilast153259-65-534 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook