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Substance Name: 7,8,12-Trimethylbenz(a)anthracene
RN: 13345-64-7
InChIKey: NQIIOABBGPROQW-UHFFFAOYSA-N

Note

  • Lipid soluble mammary carcinogen.

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C21-H18

Molecular Weight

  • 270.3732
 
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Names and Synonyms

Name of Substance

  • 7,8,12-Trimethylbenz(a)anthracene

Synonyms

  • 3-05-00-02426 (Beilstein Handbook Reference)
  • 5:9:10-Trimethyl-1:2-benzanthracene
  • 7,8,12-TMBA
  • 7,8,12-Trimethylbenz(a)anthracene
  • BRN 2374656
  • CCRIS 609

Systematic Names

  • 7,8,12-Trimethylbenz(a)anthracene
  • Benz(a)anthracene, 7,8,12-trimethyl-

Registry Numbers

CAS Registry Number

  • 13345-64-7

System Generated Number

  • 0013345647

Structure Descriptors

InChI

1S/C21H18/c1-13-7-6-10-17-15(3)21-18(14(2)20(13)17)12-11-16-8-4-5-9-19(16)21/h4-12H,1-3H3

InChIKey

NQIIOABBGPROQW-UHFFFAOYSA-N

Smiles

Cc1cccc2c(C)c3c(ccc4ccccc34)c(C)c12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Molecular Pharmacology. Vol. 4, Pg. 427, 1968.
rat LD50 intravenous 125mg/kg (125mg/kg)   Molecular Pharmacology. Vol. 4, Pg. 427, 1968.