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Verapamil Hydrochloride

CAS: 23313-68-0 | C27H39ClN2O4

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 23313-68-0
Molecular Formula: C27H39ClN2O4
Molecular Weight: 491.0720000000002 g/mol

Names and Synonyms:

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

Identifiers:

SMILES:
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl
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

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 491.0720000000002 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 490.25983540799996 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 34 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 13 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 63.95 Ų RDKit

Physical Properties

Property Value Source
LogP 5.514880000000007 RDKit
molecular_mass 491.07 g/mol Legacy Database
cas-canonical-smile Cl.N#CC(C1=CC=C(OC)C(OC)=C1)(CCCN(C)CCC2=CC=C(OC)C(OC)=C2)C(C)C None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=DOQPXTMNIUCOSY-UHFFFAOYSA-N None Legacy Database
cas-melting-point 131-133 °C None Legacy Database
cas-name Verapamil hydrochloride None Legacy Database

Molar

Property Value Source
Molar Refractivity 138.90399999999997 RDKit

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