Cocaine hydrochloride
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Product Overview
Product Code
NMIAD747C
CAS Number
Product Format
Neat
Molecular Formula
C17 H21 N O4 . Cl H
Molecular Weight
339.81
Product Categories
National Measurement Institute Australia (NMIA), Reference Materials for Cocaine and Related Substances
Alternate CAS Number
Documentation
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Product Information
Analyte Data
Analyte Name
Cocaine Hydrochloride
CAS Number
53-21-4
Molecular Formula
C17 H21 N O4 . Cl H
Molecular Weight
339.81
Accurate Mass
339.1237
SMILES
Cl.COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3
InChI
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+;/m0./s1
IUPAC
methyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate;hydrochloride
Alternate CAS Number
Free base: 50-36-2
Product Data
Storage Temperature
Room Temperature
Shipping Temperature
Room Temperature
Country of Origin
AUSTRALIA
Product Format
Neat
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