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Substance Name: Cholanthrene, 3-methyl-11,12-epoxy-
RN: 67195-51-1
InChIKey: NSSVPEQRQUSMMH-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C21-H14-O

Molecular Weight

  • 282.3406
 
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Names and Synonyms

Synonyms

  • 11,12-Epoxy-3-methylcholanthrene
  • 3-Methylcholanthrene-11,12-epoxide
  • Benz(7,8)aceanthryleno(9,10-b)oxirene, 3-methyl-
  • MCA-11,12-epoxide
  • MCA-11,12-oxide

Systematic Names

  • Benz(7,8)aceanthryleno(9,10-b)oxirene, 1a,11c-dihydro-9-methyl-
  • Cholanthrene, 3-methyl-11,12-epoxy-

Registry Numbers

CAS Registry Number

  • 67195-51-1

System Generated Number

  • 0067195511

Structure Descriptors

InChI

1S/C21H14O/c1-11-6-7-12-10-17-14-4-2-3-5-15(14)20-21(22-20)19(17)16-9-8-13(11)18(12)16/h2-10,20-21H,1H3

InChIKey

NSSVPEQRQUSMMH-UHFFFAOYSA-N

Smiles

Cc1ccc2cc-3c(c4c2c1C=C4)C5C(O5)c6c3cccc6