Product Code

TRC-P839517

Product Format

Neat

Molecular Formula

C17H18D3NO4 • HCl

Molecular Weight

342.84

Product Categories

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

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

6363-57-1

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Pseudococaine Hydrochloride-D3

Molecular Formula

C17H18D3NO4 • HCl

Molecular Weight

342.84

Accurate Mass

342.15

SMILES

O=C(O[C@@H]1[C@H]([C@H]2CC[C@H](N2C([2H])([2H])[2H])C1)C(OC)=O)C3=CC=CC=C3.Cl

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/i1D3;

IUPAC

methyl (1R,2S,3S,5S)-3-(benzoyloxy)-8-(methyl-d3)-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride

Unlabelled CAS Number

6363-57-1

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Pseudococaine Hydrochloride-D3

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