Cocaine sulfate

Base Information

• Chemical Name: Cocaine sulfate
• CAS No.: 5913-65-5
• Molecular Formula: C17H23NO8S
• Molecular Weight: 0
• UNII: GG6P4Q1KNT
• Mol file: 5913-65-5.mol

Synonyms:Cocaine sulfate;GG6P4Q1KNT;5913-65-5;8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R-(exo,exo))-, sulfate (1:1);CCRIS 6898;UNII-GG6P4Q1KNT;SCHEMBL8399592;1.alpha.H,5.alpha.H-Tropane-2.beta.-carboxylic acid, 3.beta.-hydroxy-, methyl ester, benzoate (ester), sulfate (1:1);1alphaH,5alphaH-Tropane-2-beta-carboxylic acid, 3beta-hydroxy-, methyl ester, benzoate (ester), sulfate (1:1)

Chemical Property of Cocaine sulfate

Chemical Property:

• Vapor Pressure: 1.87E-06mmHg at 25°C
• Boiling Point: 395.2°C at 760 mmHg
• Flash Point: 192.8°C
• PSA: 138.82000
• LogP: 2.23360
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 401.11443787
• Heavy Atom Count: 27
• Complexity: 514

Purity/Quality:

99% ^*data from raw suppliers

COCAINE SULFATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC.OS(=O)(=O)O
• Isomeric SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC.OS(=O)(=O)O

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