Trimebutine | SBID = 1672 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 57.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 4.0 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 307.3 | ||
| Sum Formula: | C22H29NO5 | ||
| M / g/mol: | 387.5 | ||
| Complexity: | 466.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, typical guest, drug
- Name: Trimebutine
- Preferred Abbreviation: Trimebutine maleate
- IUPAC Name: [2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
- CAS: 39133-31-8
- CID: 5573
- InChiKey: LORDFXWUHHSAQU-UHFFFAOYSA-N
- InChi: InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3
- CanoSmiles: CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C
- IsoSmiles: CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C
