Product Code

TRC-H808557

Product Format

Neat

Molecular Formula

C16 D3 H16 N O5

Molecular Weight

308.344

Product Categories

TRC, Stable isotopes, Reference Materials for Cocaine and Related Substances

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

90899-22-2

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

p-Hydroxybenzoylecgonine-D3

Molecular Formula

C16 D3 H16 N O5

Molecular Weight

308.344

Accurate Mass

308.145

SMILES

[2H]C([2H])([2H])N1[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/i1D3

IUPAC

(1R,2R,3S,5S)-3-(4-hydroxybenzoyl)oxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid

Unlabelled CAS Number

90899-22-2

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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p-Hydroxybenzoylecgonine-D3

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