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Molecule
Disopyramide
CAS: 3737-09-5 · C21H29N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3737-09-5
- Molecular Formula
- C21H29N3O
- Molecular Mass
- 339.48 g/mol
Identifiers
CAS Registry Number
3737-09-5
SMILES
CC(C)N(CCC(C(=N)O)(c1ccccc1)c1ccccn1)C(C)C
InChI Key
UVTNFZQICZKOEM-UHFFFAOYSA-N
InChI
InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)
Names and Synonyms
- Disopyramide Common Name
- 2-Pyridineacetamide, α-[2-[bis(1-methylethyl)amino]ethyl]-α-phenyl- Synonym
- 2-Pyridineacetamide, α-[2-(diisopropylamino)ethyl]-α-phenyl- Synonym
- α-[2-[Bis(1-methylethyl)amino]ethyl]-α-phenyl-2-pyridineacetamide Synonym
- SC 7031 Synonym
- α-[2-(Diisopropylamino)ethyl]-α-phenyl-2-pyridineacetamide Synonym
- 4-Diisopropylamino-2-phenyl-2-(2-pyridyl)butyramide Synonym
- Disopyramide Synonym
- H 3292 Synonym
- Dicorantil Synonym
- Searle 703 Synonym
- (±)-Disopyramide Synonym
- dl-Disopyramide Synonym
- (RS)-disopyramide Synonym
- Ritmilen Synonym
- Lispine Synonym
- Isorythm Synonym
- Ritmodan Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 339.48 g/mol | CAS Common Chemistry |
| 339.4830000000001 g/mol | RDKit | |
| 339.483 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C(C1=NC=CC=C1)(C=2C=CC=CC2)CCN(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25) | CAS Common Chemistry |
| InChI Key | InChIKey=UVTNFZQICZKOEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94.5-95 °C | CAS Common Chemistry |
| Name | Disopyramide | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 60.21000000000001 Ų | RDKit |
| 60.21 Ų | RDKit | |
| LogP | 4.411870000000004 | RDKit |
| 4.4119 | RDKit | |
| 4.2 | chempirical lib | |
| Molar Refractivity | 103.40950000000007 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4286 | RDKit |
| 0.43 | chempirical lib | |
| Exact Mass | 339.231062548 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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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.
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MW = 339.48 g/mol. Edit any field — others recompute live.
