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Verapamil Hydrochloride
CAS: 152-11-4 | C27H39ClN2O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
152-11-4
Molecular Formula:
C27H39ClN2O4
Molecular Mass:
491.07 g/mol
Names and Synonyms:
Verapamil Hydrochloride
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
Verapamil 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
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
Key Properties
Melting Point
131-133 °C
CAS Common Chemistry
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 491.07 g/mol | CAS Common Chemistry |
| 491.0720000000002 g/mol | RDKit | |
| 490.25983540799996 g/mol | RDKit | |
| Canonical SMILES | Cl.N#CC(C1=CC=C(OC)C(OC)=C1)(CCCN(C)CCC2=CC=C(OC)C(OC)=C2)C(C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=DOQPXTMNIUCOSY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131-133 °C | CAS Common Chemistry |
| Name | Verapamil hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 63.95 Ų | RDKit |
| LogP | 5.514880000000007 | RDKit |
| Molar Refractivity | 138.90399999999997 | RDKit |
