Benzyl cinnamate-d5

• CAT Number: I041636
• CAS Number: 347840-02-2
• Molecular Formula: C16H9D5O2
• Molecular Weight: 243.31
• Purity: ≥95%
• Synonyms: (2,3,4,5,6-pentadeuteriophenyl)methyl (E)-3-phenylprop-2-enoate
• InChI: InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+/i2D,5D,6D,9D,10D
• InChIKey: NGHOLYJTSCBCGC-MAOTZQGHSA-N
• SMILES: C1=CC=C(C=C1)COC(=O)C=CC2=CC=CC=C2

Benzyl cinnamate-d5 is the deuterium labeled Benzyl cinnamate[1]. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[2].
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].

Reference

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.
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[2]. Bhatia SP, et al. Fragrance material review on benzyl cinnamate. Food Chem Toxicol. 2007;45 Suppl 1:S40-8. Epub 2007 Sep 14.
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