TL;DR: Rauhimbine (CAS 123333-62-0) is a chemical compound with molecular formula C21H27ClN2O3 and molecular weight 390.17102 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
Also Known As: Rauhimbine, Corynanthine hydrochloride, Antagonil, TRIISOBUTYLAMINE, Chlorhydrate de corynanthine
| Molecular Formula | C21H27ClN2O3 |
| Molecular Weight | 390.17102 g/mol |
| XLogP | 3.0689 |
| Topological Polar Surface Area (TPSA) | 65.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.17102 Da |
| Heavy Atoms | 27 |
| Complexity | 555.0 |
| SMILES | COC(=O)[C@@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl |
| InChIKey | PIPZGJSEDRMUAW-VYDVLXQVSA-N |
The XLogP value of 3.0689 indicates that Rauhimbine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Rauhimbine. Following Lipinski's Rule of Five, Rauhimbine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Rauhimbine is 123333-62-0.
The molecular formula of Rauhimbine is C21H27ClN2O3.
The molecular weight of Rauhimbine is 390.17102 g/mol.
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