Cocaine Hydrochloride
[CAS# 53-21-4]

Identification

• Name: Cocaine Hydrochloride
• Synonyms: (1R,2R,3S,5R)-3-Benzoyloxy-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester Hydrochloride; Methyl (1R,2R,3S,5R)-8-Methyl-3-(Phenylcarbonyloxy)-8-Azabicyclo[3.2.1]Octane-2-Carboxylate Hydrochloride; Sal De Merck
• Molecular Formula: C₁₇H₂₂ClNO₄
• Molecular Weight: 339.82
• CAS Registry Number: 53-21-4
• EINECS: 200-167-1
• SMILES: [C@@H]13N([C@H](CC1)C[C@H](OC(=O)C2=CC=CC=C2)[C@@H]3C(OC)=O)C.[H+].[Cl-]
• InChI: 1S/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13-,14+,15-;/m1./s1
• InChIKey: PIQVDUKEQYOJNR-RWXTUVLLSA-N

Properties

• Boiling point: 395.2°C at 760 mmHg (Cal.)
• Flash point: 192.8°C (Cal.)

Safety Data

• Controlled Substance: DEA Drug Code Number: 9041