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Product Overview

Product Code

TRC-H808555

CAS Number

90899-22-2

Product Format

Neat

Molecular Formula

C16 H19 N O5

Molecular Weight

305.33

Product Categories

Reference Materials for Cocaine and Related Substances , TRC, Additional Neuro Products

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

p-Hydroxybenzoylecgonine

CAS Number

90899-22-2

Molecular Formula

C16 H19 N O5

Molecular Weight

305.33

Accurate Mass

305.1263

SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccc(O)cc3)C(=O)O

InChI

InChI=1S/C16H19NO5/c1-17-10-4-7-12(17)14(15(19)20)13(8-10)22-16(21)9-2-5-11(18)6-3-9/h2-3,5-6,10,12-14,18H,4,7-8H2,1H3,(H,19,20)/t10-,12+,13-,14+/m0/s1

IUPAC

(1S,3S,4R,5R)-3-(4-hydroxybenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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