Cocaine hydrochloride mixture with menthol and phenol
methyl (1R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol;phenol;hydrochloride
Also Known As: Bonain's liquid|Bonains liquid|Cocaine HCl mixture with menthol and phenol|Cocaine hydrochloride mixture with menthol and phenol|8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, hydrochloride, (1R-(exo,exo))-, mixt. with (1alpha,2beta,5alpha)-5-methyl-2-(1-methylethyl)cyclohexanol and phenol|methyl (5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate; (1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol; phenol; hydrochloride
| Molecular Formula | C33H48ClNO6 |
|---|---|
| Molecular Weight | 589.317 g/mol |
| LogP | 6.1212 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 589.317 |
| Monoisotopic Mass | 589.317 |
| Heavy Atoms | 41 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 8053-92-7 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C.CN1[C@@H]2CCC1CC(C2C(=O)OC)OC(=O)C3=CC=CC=C3.C1=CC=C(C=C1)O.Cl |
| InChIKey | BNZYOCHPQXYFEE-PKXMYSIYSA-N |
Product Overview
Cocaine hydrochloride mixture with menthol and phenol (CAS 8053-92-7), with molecular formula C33H48ClNO6 and molecular weight 589.317 g/mol. IUPAC: methyl (1R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol;phenol;hydrochloride.
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