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Substance Name: 2-Acetoxy-3-methylcholanthrene
RN: 7390-93-4
UNII: 8T2174G8AD
InChIKey: DTDNHCYJVIUBGT-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C23-H18-O2

Molecular Weight

  • 326.393
 
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Names and Synonyms

Name of Substance

  • 2-Acetoxy-3-methylcholanthrene

Synonyms

  • 3-Methylbenz(j)aceanthrylen-2-ol acetate
  • BRN 2303621
  • CCRIS 2807
  • Cholanthren-2-ol, 3-methyl-, acetate
  • UNII-8T2174G8AD

Systematic Names

  • 2-Acetoxy-3-methylcholanthrene
  • Benz(j)aceanthrylen-2-ol, 1,2-dihydro-3-methyl-, acetate

Registry Numbers

CAS Registry Number

  • 7390-93-4

FDA UNII

  • 8T2174G8AD

System Generated Number

  • 0007390934

Structure Descriptors

InChI

1S/C23H18O2/c1-13-7-8-16-11-19-17-6-4-3-5-15(17)9-10-18(19)20-12-21(25-14(2)24)22(13)23(16)20/h3-11,21H,12H2,1-2H3

InChIKey

DTDNHCYJVIUBGT-UHFFFAOYSA-N

Smiles

C1[C@@H](c2c(ccc3cc4c5c(ccc4c1c23)cccc5)C)OC(C)=O