Methylcholanthrene

Methylcholanthrene A carcinogen that is often used in experimental cancer studies.

[1. A highly carcinogenic hydrocarbon that can be formed chemically from deoxycholic or cholic acids, or from cholesterol; it induces the synthesis of cytochrome P-450 mRNA; the choice between 3- or 20- for the methyl group depends upon whether hydrocarbon (inner) or steroid (outer) numbering is chosen; in the latter case, the formal relationship to the cholic acids and cholesterol is clear.

Molecular Formula: C₂₁H₁₆

InChI: InChI=1/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3

InChIKey: InChIKey=PPQNQXQZIWHJRB-UHFFFAOYAO
SMILES: Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25

CAS number 56-49-5

Names:
    Benz[j]aceanthrylene, 1,2-dihydro-3-methyl-
    MC
    MCA
    Methylcholanthrene
    1,2-Dihydro-3-methylbenz(j)aceanthrylene
    20-MC
    20-Methylcholanthrene
    3-MC
    3-MCA
    3-methylcholanthrene
    3-Methylcholanthrene
    3-methylcholanthrene
    3-methyl-1,2-dihydrobenzo[j]aceanthrylene

Registries:
    PubChem CID 1674
    Beilstein =1913890
    CAS 56-49-5 (from NIST)
    ChEBI 34342
    Kegg C14470
    PubChem ID 10468044