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Verpal
CAS: 152-11-4 | C27H39ClN2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
152-11-4
Molecular Formula:
C27H39ClN2O4
Molecular Weight:
491.0720000000002 g/mol
Names and Synonyms:
Verpal
Hexasoptin
Isoptino
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
Isoptin Retard
Geangin
Veracor
Anpec
Novo-Veramil
Isoptine
Dilacoran
Univer
Vasolan
Isoptin
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
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
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 |
