Molecular Identity
3-Methylcholanthrene
3-methyl-1,2-dihydrobenzo[j]aceanthrylene
PubChem CID: 1674
3-Methylcholanthrene can cause cancer according to The Environmental Protection Agency (EPA).
2D Structure
Properties
C21H16
Molecular Formula
268.40
Molecular Weight
g/mol
268.1252
Exact Mass
Da
6.4
XLogP
Above Lipinski threshold
0
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
0
H-Bond Acceptors
399
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1Isomeric SMILES
SMILES: CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1Synonyms(20)
3-methylcholanthrene56-49-5Methylcholanthrene20-Methylcholanthrene3-methyl-1,2-dihydrocyclopenta[ij]tetraphene3-MCA3-Methoxycholanthrene20-MC3-MeCACholanthrene, 3-methyl-1,2-Dihydro-3-methylbenz(j)aceanthryleneDTXSID0020862Benz(j)aceanthrylene, 1,2-dihydro-3-methyl-Benz[j]aceanthrylene, 1,2-dihydro-3-methyl-1,2-dihydro-3-methylbenz[j]aceanthrylene
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 3-Methylcholanthrene
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