(1R,2R,3S,5S)-Methyl 3-((3-(Benzyloxy)benzoyl)oxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate-D3

CAS: 168418-62-0

Ref. TR-M168416

Product Information

• Name: (1R,2R,3S,5S)-Methyl 3-((3-(Benzyloxy)benzoyl)oxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate-D3
• Synonyms: methyl (1R,2R,3S,5S)-3-(3-phenylmethoxybenzoyl)oxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
• CAS: 168418-62-0

Description

Applications (1R,2R,3S,5S)-Methyl 3-((3-(Benzyloxy)benzoyl)oxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate-D3 is an intermediate used in the synthesis of meta-Hydroxybenzoylecgonine-D3 (H808552), which is a labelled analogue of meta-Hydroxybenzoylecgonine (H808550). meta-Hydroxybenzoylecgonine is a major metabolite of Cocaine (HCl: C633500). It’s presence in infant meconium analysis indicates that the infant was exposed to Cocaine, causing long term effects on infant cognition, and language development.
References Minnes, S., et al.: Arch. Women. Ment. Health, 11, 181 (2008); Lewis, B., et al.: Neuro. Tera., 33, 17 (2011); Singer, L., et al.: Neuro. Tera., 22, 653 (2000)

• Brand: TRC

Chemical properties

• Molecular weight: 412.493
• Formula: C₂₄D₃H₂₄NO₅
• Color/Form: Neat
• InChI: InChI=1S/C24H27NO5/c1-25-18-11-12-20(25)22(24(27)28-2)21(14-18)30-23(26)17-9-6-10-19(13-17)29-15-16-7-4-3-5-8-16/h3-10,13,18,20-22H,11-12,14-15H2,1-2H3/t18-,20+,21-,22+/m0/s1/i1D3
• InChI key: InChIKey=LMJGVFLNQVOETP-DSPWLFADSA-N
• SMILES: [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@@H](C(=O)OC)[C@@H](OC(=O)c1cccc(OCc3ccccc3)c1)C2