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Molecule
Pilsicainide Hydrochloride
CAS: 88069-49-2 · C17H25ClN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 88069-49-2
- Molecular Formula
- C17H25ClN2O
- Molecular Mass
- 308.85 g/mol
Identifiers
CAS Registry Number
88069-49-2
SMILES
Cc1cccc(C)c1N=C(O)CC12CCCN1CCC2.Cl
InChI Key
NZOSVDHCTCLGEB-UHFFFAOYSA-N
InChI
InChI=1S/C17H24N2O.ClH/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17;/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20);1H
Names and Synonyms
- Pilsicainide Hydrochloride Common Name
- 1H-Pyrrolizine-7a(5H)-acetamide, N-(2,6-dimethylphenyl)tetrahydro-, hydrochloride (1:1) Synonym
- 1H-Pyrrolizine-7a(5H)-acetamide, N-(2,6-dimethylphenyl)tetrahydro-, monohydrochloride Synonym
- SUN 1165 Synonym
- Pilsicainide hydrochloride Synonym
- Sunrythm Synonym
- 1H-Pyrrolizine-7a(5H)-acetamide N-(2,6-dimethylphenyl)tetrahydro-, hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 308.85 g/mol | CAS Common Chemistry |
| 308.853 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(NC=1C(=CC=CC1C)C)CC23N(CCC2)CCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C17H24N2O.ClH/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17;/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20);1H | CAS Common Chemistry |
| InChI Key | InChIKey=NZOSVDHCTCLGEB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 212-214 °C | CAS Common Chemistry |
| Name | Pilsicainide hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.830000000000005 Ų | RDKit |
| 35.83 Ų | RDKit | |
| 35.6 Ų | chempirical lib | |
| LogP | 4.331740000000004 | RDKit |
| 4.3317 | RDKit | |
| 4.57 | chempirical lib | |
| Molar Refractivity | 90.27680000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5882 | RDKit |
| 0.59 | chempirical lib | |
| Exact Mass | 308.16554110000004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 308.85 g/mol. Edit any field — others recompute live.
