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Product Overview

Product Code

TRC-T342452

CAS Number

782491-54-7

Product Format

Neat

Molecular Formula

C19 2H3 H18 N O3

Molecular Weight

314.393

API Family

Thebaine

Product Categories

TRC, Chiral Molecules , Additional Toxicology Reference Materials , API Reference Standards & Research Materials, Additional pharmaceutical toxicology reference materials, Additional pharmaceutical toxicology research materials, Opioid receptors, Neurotransmission, Addiction, Depression, Memory, Learning and Cognition, Pain and Inflammation, Stable isotopes, Stable Isotope Labelled Analytical Standards

Product Type

Stable Isotope Labelled, API

Alternate CAS Number

115-37-7

Unlabelled CAS Number

115-37-7

Documentation

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Product Information

Chemical Data

Analyte Name

Thebaine-N-methyl-d3

CAS Number

782491-54-7

Molecular Formula

C19 2H3 H18 N O3

Molecular Weight

314.393

Accurate Mass

314.171

SMILES

[2H]C([2H])([2H])N1CC[C@]23[C@H]4Oc5c(OC)ccc(C[C@@H]1C2=CC=C4OC)c35

InChI

InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1/i1D3

IUPAC

(4R,7aR,12bS)-7,9-dimethoxy-3-(trideuteriomethyl)-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline

Alternate CAS Number

115-37-7

Unlabelled CAS Number

115-37-7

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Thebaine

Product Description

Labelled Thebaine. Controllled substance (opiate).

References: Csokan, Z., et al.: Anal. Chem., 124, 344 (1942), Barber, R., et al.: J. Med.Chem., 18, 1074 (1975), Bird, D., et al.: Plant Cell, 15, 2626

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