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Coraver
CAS: 152-11-4 | C27H39ClN2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 152-11-4
- Molecular Formula
- C27H39ClN2O4
- Molecular Mass
- 491.07 g/mol
Identifiers
CAS Registry Number
152-11-4
SMILES
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl
InChI Key
DOQPXTMNIUCOSY-UHFFFAOYSA-N
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
Names and Synonyms
- 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
- Verpal Synonym
- Hexasoptin Synonym
- Isoptin Retard Synonym
- Geangin Synonym
- Veracor Synonym
- Anpec Synonym
- Novo-Veramil Synonym
- Isoptine Synonym
- Dilacoran Synonym
- Univer Synonym
- Vasolan Synonym
- Isoptin Synonym
- Isoptino 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
- 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
- 2-(3,4-Dimethoxyphenyl)-5-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-2-(propan-2-yl)pentanenitrile hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 491.07 g/mol | CAS Common Chemistry |
| 491.0720000000002 g/mol | RDKit | |
| 491.072 g/mol | RDKit | |
| 491.069 g/mol | chempirical lib | |
| 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 |
| 5.5149 | RDKit | |
| Molar Refractivity | 138.90399999999997 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5185 | RDKit |
| 0.52 | chempirical lib | |
| Exact Mass | 490.25983540799996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
Related
Related molecules
Other compounds with formula C27H39ClN2O4.
