chempirical

Verapamil hydrochloride

C27H39ClN2O4CAS 152-11-4491.07 g/mol

Open in Covalent MOL file
ONNOOOHCl
EtherNitrileTertiary amine

Properties

Molecular formula
C27H39ClN2O4
Molar mass
491.07 g/mol
Exact mass
490.2598 Da
Melting point
131–133 °C
logP
5.51Crippen estimate
Polar surface area
64.0 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
13

Identifiers

CAS number
152-11-4
SMILES
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl
InChIKey
DOQPXTMNIUCOSY-UHFFFAOYSA-N
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

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

Names and synonyms

81 names · show all
  • Benzeneacetonitrile, α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-α-(1-methylethyl)-, hydrochloride (1:1)
  • Valeronitrile, 5-[(3,4-dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-, monohydrochloride
  • Benzeneacetonitrile, α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-α-(1-methylethyl)-, monohydrochloride
  • Valeronitrile, 5-[(3,4-dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-, hydrochloride
  • Iproveratril hydrochloride
  • Isoptin, hydrochloride
  • Izoptin hydrochloride
  • Manidon
  • Finoptin
  • LU 20175
  • Calan
  • Dl-Verapamil hydrochloride
  • (±)-Verapamil hydrochloride
  • Verogalid ER
  • Lekoptin retard
  • NSC 657799
  • Calan SR
  • Covera HS
  • Isoptin SR
  • Verelan
  • Ravamil SR
  • Verahexal
  • Civicor retard
  • Veraloc
  • Civicor
  • iso-Card SR
  • Verelan SR
  • Ikapress
  • Calaptin
  • Hexasoptin retard
  • Berkatens
  • Vasopten
  • Veramex
  • Veracaps SR
  • Azupamil
  • Apoacor
  • Apo-verap
  • Vasomil
  • Cordilox SR
  • Verdilac
  • Coraver
  • Dilacoran HTA
  • Vetrimil
  • Akilen
  • Cordilox
  • Verapin
  • Caveril
  • Calaptin 240SR
  • Ikacor
  • Securon
  • Veramil
  • Cardiabeltin
  • Flamon
  • Corpamil
  • Manidon retard
  • Verpal
  • Hexasoptin
  • Isoptin retard
  • Geangin
  • Veracor
  • Anpec
  • Novo-veramil
  • Isoptine
  • Dilacoran
  • Univer
  • Vasolan
  • Isoptin
  • Isoptino
  • Verapress 240SR
  • Cardibeltin
  • Drosteakard
  • Veraptin
  • Verexamil
  • Arapamyl
  • Cardiagutt
  • Veracim
  • Quasar
  • Dignover
  • NSC 272366
  • Calaptin 80
  • 2-(3,4-Dimethoxyphenyl)-5-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-2-(propan-2-yl)pentanenitrile hydrochloride

Work with Verapamil hydrochloride

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Verapamil52-53-996 % similar 1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine hydrochloride (1:2)165377-44-644 % similar Benzenepropanenitrile, α-amino-3,4-dimethoxy-α-methyl-, hydrochloride (1:1), (αS)-2544-13-041 % similar 3,4-Dimethoxybenzeneacetonitrile93-17-436 % similar Cilomilast153259-65-535 % similar 3,4-Dimethoxyphenethylamine120-20-734 % similar 2-(3,4-Dimethoxyphenyl)ethanol7417-21-234 % similar N-Methylhomoveratrylamine3490-06-033 % similar

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

Same formula

Verapamil hydrochloride23313-68-0

Elsewhere

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