Cinchocaine hydrochloride | SBID = 484 | Compound |
Structure
Molecular Properties
| Interactions: | 10 | ||
| PubChem TPSA/Å2: | 54.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C20H30ClN3O2 | ||
| M / g/mol: | 379.9 | ||
| Complexity: | 387.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, drug, typical guest
- Name: Cinchocaine hydrochloride
- Preferred Abbreviation: Dibucaine hydrochloride
- IUPAC Name: 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride
- CAS: 61-12-1
- CID: 521951
- InChiKey: IVHBBMHQKZBJEU-UHFFFAOYSA-N
- InChi: InChI=1S/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1H
- CanoSmiles: CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC.Cl
- IsoSmiles: CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC.Cl
