Dibenzo[a,i]pyrene-d14

CAS: 158776-07-9

Ref. TR-D416987

Product Information

• Name: Dibenzo[a,i]pyrene-d14
• Synonyms: Benzo[rst]pentaphene-d14 (9CI)
• Brand: TRC
• Description: Applications Labelled analogue of Dibenzo[a,i]pyrene, a polycyclic aromatic hydrocarbon (PAH) with potent carcinogenic activity. Dibenzo[a,i]pyrene was shown to induce DNA adduction, tumorigenicity as well as Ki-ras oncogene mutations in strain A/J mouse lung. Dibenzo[a,i]pyrene has been shown to be present in cigarette smoke condensate and in automobile exhaust gas in small quantities.References Prahalad, A.K. et al.: Carcinogenesis, 18, 1955 (1997); Wynder, E.L. et al.: Nature, 192, 1092 (1961); Homburger, F. et al.: J. Nat. Cancer Inst., 44, 357 (1970)

Chemical properties

• Molecular weight: 316.45
• Formula: C₂₄D₁₄
• Color/Form: Yellow
• InChI: InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D
• InChI key: InChIKey=TUGYIJVAYAHHHM-WZAAGXFHSA-N
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c1c([2H])c([2H])c3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c2c1c34