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