Cocaine Nitrate
[CAS# 5913-62-2]

Identification

• Name: Cocaine Nitrate
• Synonyms: Methyl (1R,2S,3R,5S)-8-Methyl-3-(2-Oxo-2-Phenyl-Ethyl)-8-Azabicyclo[3.2.1]Octane-2-Carboxylate; Nitric Acid; (1R,2S,3R,5S)-8-Methyl-3-(2-Oxo-2-Phenylethyl)-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester; Nitric Acid; (1R,2S,3R,5S)-3-(2-Keto-2-Phenyl-Ethyl)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester; Nitric Acid
• Molecular Formula: C₁₈H₂₄N₂O₆
• Molecular Weight: 364.40
• CAS Registry Number: 5913-62-2
• EINECS: 227-635-8
• SMILES: [C@H]13N([C@H](C[C@@H]([C@@H]1C(OC)=O)CC(=O)C2=CC=CC=C2)CC3)C.O=[N+]([O-])O
• InChI: 1S/C18H23NO3.HNO3/c1-19-14-8-9-15(19)17(18(21)22-2)13(10-14)11-16(20)12-6-4-3-5-7-12;2-1(3)4/h3-7,13-15,17H,8-11H2,1-2H3;(H,2,3,4)/t13-,14+,15-,17+;/m1./s1
• InChIKey: YWFJZJRFJZTCPY-PSDBAABZSA-N