4-Methylbenzylidene camphor-d4

For research use only. Not for therapeutic Use.

  • CAT Number: R036818
  • CAS Number: 1219806-41-3
  • Molecular Formula: C18H18D4O
  • Molecular Weight: 258.39
  • Purity: ≥95%
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4-Methylbenzylidene camphor-d4 is the deuterium labeled 4-Methylbenzylidene camphor[1].
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].


Catalog Number R036818
CAS Number 1219806-41-3
Synonyms

(3E)-1,7,7-trimethyl-3-[(2,3,5,6-tetradeuterio-4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one

Molecular Formula C18H18D4O
Purity ≥95%
InChI InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11+/i5D,6D,7D,8D
InChIKey HEOCBCNFKCOKBX-WPRVUWCESA-N
SMILES CC1=CC=C(C=C1)C=C2C3CCC(C2=O)(C3(C)C)C
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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