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Substance Name: Cholanthrene, 2,3-dimethyl-
RN: 63041-62-3
InChIKey: UPRQKLZBOHCFKB-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C22-H18

Molecular Weight

  • 282.384
 
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Names and Synonyms

Synonyms

  • 16:20-Dimethylcholanthrene
  • 2,3-Dimethylcholanthrene
  • 3-05-00-02499 (Beilstein Handbook Reference)
  • Benz(j)aceanthrylene, 1,2-dihydro-2,3-dimethyl-
  • BRN 3335464

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 63041-62-3

System Generated Number

  • 0063041623

Structure Descriptors

InChI

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

InChIKey

UPRQKLZBOHCFKB-UHFFFAOYSA-N

Smiles

c12c3c(ccc(c3[C@@H](C2)C)C)cc2c1ccc1ccccc21