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Substance Name: Cholanthrene, 1,3-dimethyl-
RN: 63041-61-2
InChIKey: WSZQILGMYQZUBK-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C22-H18

Molecular Weight

  • 282.384
 
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Names and Synonyms

Synonyms

  • 1,3-Dimethylcholanthrene
  • 15,20-Dimethylcholanthrene
  • 3-05-00-02499 (Beilstein Handbook Reference)
  • Benz(j)aceanthrylene, 1,2-dihydro-1,3-dimethyl-
  • BRN 3142099

Systematic Names

  • Benz(j)aceanthrylene, 1,2-dihydro-1,3-dimethyl-
  • Cholanthrene, 1,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 63041-61-2

System Generated Number

  • 0063041612

Structure Descriptors

InChI

1S/C22H18/c1-13-7-8-16-12-20-17-6-4-3-5-15(17)9-10-18(20)21-14(2)11-19(13)22(16)21/h3-10,12,14H,11H2,1-2H3

InChIKey

WSZQILGMYQZUBK-UHFFFAOYSA-N

Smiles

C1[C@@H](c2c3ccc4c(c3cc3ccc(c1c23)C)cccc4)C