Verapamil
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
- pKa
- 8.92
- Water solubility
- practically insoluble
- logP
- 5.09Crippen estimate
- Polar surface area
- 64.0 Ų
- H-bond donors / acceptors
- 0 / 6
- Rotatable bonds
- 13
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H331 Toxic if inhaled100% of notifiers
Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501
Identifiers
CAS number
52-53-9SMILES
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OCInChIKey
SGTNSNPWRIOYBX-UHFFFAOYSA-NInChI
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,8,13-16H2,1-7H3Weigh it out
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Norverapamil hydrochloride67812-42-467 % 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
Veratrylamine5763-61-134 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.