TL;DR: Dextrorphan citrate (CAS 130940-64-6) is a chemical compound with molecular formula C23H31NO8 and molecular weight 449.20496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxypropane-1,2,3-tricarboxylic acid;(9S,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Also Known As: Dextrorphan citrate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--17-methylmorphinan-3-ol (1/1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--17-methyl-9alpha,14alpha-morphinan-3-ol (1/1), Morphinan-3-ol, 17-methyl-, (9alpha,13alpha,14alpha)-, 2-hydroxy-1,2,3-propanetricarboxylate (salt)
| Molecular Formula | C23H31NO8 |
| Molecular Weight | 449.20496 g/mol |
| XLogP | 1.8319 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.20496 Da |
| Heavy Atoms | 32 |
| Complexity | 585.0 |
| SMILES | CN1CCC23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | QLUJATVXLUOTHR-GTIOEJKOSA-N |
The XLogP value of 1.8319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dextrorphan citrate. The TPSA of 156.0 Ų indicates high polarity, suggesting Dextrorphan citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dextrorphan citrate has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dextrorphan citrate is 130940-64-6.
The molecular formula of Dextrorphan citrate is C23H31NO8.
The molecular weight of Dextrorphan citrate is 449.20496 g/mol.
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