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Product Overview

Product Code

TRC-C633400

CAS Number

529-38-4

Product Format

Neat

Molecular Formula

C18 H23 N O4

Molecular Weight

317.38

API Family

Cocaine Hydrochloride

Product Categories

Dopamine receptors, TRC, Neurotransmission, Alzheimer's, Depression, Huntington's, Parkinson's, Schizophrenia, Addiction, Stress and Anxiety, Pain and Inflammation, Reference Materials for Cocaine and Related Substances , Impurity Reference Materials

Product Type

Bioactive small molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Cocaethylene (Benzoylethylecgonin)

CAS Number

529-38-4

Molecular Formula

C18 H23 N O4

Molecular Weight

317.38

Accurate Mass

317.1627

SMILES

CCOC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3

InChI

InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1

IUPAC

ethyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Cocaine Hydrochloride

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Cocaethylene

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