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Substance Name: Cholanthrene, 5-methyl-
RN: 63041-78-1
InChIKey: TWFGREXFBVGQEU-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C21-H16

Molecular Weight

  • 268.3574
 
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Names and Synonyms

Synonyms

  • 3-05-00-02487 (Beilstein Handbook Reference)
  • 5-Methylcholanthrene
  • Benz(j)aceanthrylene, 1,2-dihydro-5-methyl-
  • BRN 2531932

Systematic Name

  • Cholanthrene, 5-methyl-

Registry Numbers

CAS Registry Number

  • 63041-78-1

System Generated Number

  • 0063041781

Structure Descriptors

InChI

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

InChIKey

TWFGREXFBVGQEU-UHFFFAOYSA-N

Smiles

Cc1ccc2c3c1cc4c5ccccc5ccc4c3CC2