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Substance Name: Cholanthrene, 6,12b-dihydro-3-methyl-
RN: 63041-50-9
InChIKey: AQXNFOVKBFAVBE-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C21-H18

Molecular Weight

  • 270.3732
 
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Names and Synonyms

Synonyms

  • 3-05-00-02429 (Beilstein Handbook Reference)
  • Benz(j)aceanthrylene, 1,2,6,12b-tetrahydro-3-methyl-
  • BRN 3332091
  • meso-Dihydro-3-methylcholanthrene

Systematic Names

  • Benz(j)aceanthrylene, 1,2,6,12b-tetrahydro-3-methyl-
  • Cholanthrene, 6,12b-dihydro-3-methyl-

Registry Numbers

CAS Registry Number

  • 63041-50-9

System Generated Number

  • 0063041509

Structure Descriptors

InChI

1S/C21H18/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/h2-9,19H,10-12H2,1H3

InChIKey

AQXNFOVKBFAVBE-UHFFFAOYSA-N

Smiles

Cc1ccc2c3c1CCC3c4ccc5ccccc5c4C2