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Substance Name: Cholanthrene, 3-isopropyl-
RN: 63041-70-3
InChIKey: LCMHVWHWGIQGLI-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C23-H20

Molecular Weight

  • 296.411
 
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Names and Synonyms

Synonyms

  • 20-Isopropylcholanthrene
  • 3-05-00-02505 (Beilstein Handbook Reference)
  • Benz(j)aceanthrylene, 1,2-dihydro-3-(1-methylethyl)-
  • BRN 3359201

Systematic Name

  • Cholanthrene, 3-isopropyl-

Registry Numbers

CAS Registry Number

  • 63041-70-3

System Generated Number

  • 0063041703

Structure Descriptors

InChI

1S/C23H20/c1-14(2)17-9-8-16-13-22-18-6-4-3-5-15(18)7-10-19(22)21-12-11-20(17)23(16)21/h3-10,13-14H,11-12H2,1-2H3

InChIKey

LCMHVWHWGIQGLI-UHFFFAOYSA-N

Smiles

CC(C)c1ccc2cc3c4ccccc4ccc3c5c2c1CC5