Name: Cocaine Methiodide
Brand: TRC
SKU: TRC-C633505

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Product Overview

Product Code

TRC-C633505

CAS Number

5937-29-1

Product Format

Neat

Molecular Formula

C18H24INO4

Molecular Weight

445.29

Product Categories

TRC, Reference Materials for Cocaine and Related Substances

Product Type

Bioactive small molecule

Documentation

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Product Information

Analyte Name

Cocaine Methiodide

CAS Number

5937-29-1

Molecular Formula

C18H24INO4

Molecular Weight

445.29

Accurate Mass

445.075

SMILES

[I-].COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1[N+]2(C)C)OC(=O)c3ccccc3

InChI

InChI=1S/C18H24NO4.HI/c1-19(2)13-9-10-14(19)16(18(21)22-3)15(11-13)23-17(20)12-7-5-4-6-8-12;/h4-8,13-16H,9-11H2,1-3H3;1H/q+1;/p-1/t13-,14+,15-,16+;/m0./s1

IUPAC

methyl (1S,3S,4R,5R)-3-benzoyloxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate;iodide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule

Product Format

Neat

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