Cocaine Sulfate
[CAS# 5913-65-5]

Identification

• Name: Cocaine Sulfate
• Synonyms: (1R)-3-Benzoyloxy-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester; Sulfuric Acid; Methyl (1R)-8-Methyl-3-(Phenylcarbonyloxy)-8-Azabicyclo[3.2.1]Octane-2-Carboxylate; Sulfuric Acid; 1Alphah,5Alphah-Tropane-2-Beta-Carboxylic Acid, 3Beta-Hydroxy-, Methyl Ester, Benzoate (Ester), Sulfate (1:1)
• Molecular Formula: C₁₇H₂₃NO₈S
• Molecular Weight: 401.43
• CAS Registry Number: 5913-65-5
• SMILES: [C@H]23N(C(CC(OC(=O)C1=CC=CC=C1)C2C(OC)=O)CC3)C.O=[S](=O)(O)O
• InChI: 1S/C17H21NO4.H2O4S/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;1-5(2,3)4/h3-7,12-15H,8-10H2,1-2H3;(H2,1,2,3,4)/t12?,13-,14?,15?;/m1./s1
• InChIKey: OHOXZHVORBDIEV-IHBSAOCSSA-N

Properties

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