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Substance Name: DMBA-3,4-dihydrodiol, trans-
RN: 68162-13-0
UNII: U6AIJ1G484
InChIKey: YZIIKMBFHLJAFT-ICSRJNTNSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C20-H18-O2

Molecular Weight

  • 290.3602
 
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Names and Synonyms

Results Name

  • DMBA-3,4-dihydrodiol, trans-

Name of Substance

  • 7,12-Dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol, trans-

Synonyms

  • 3,4-Dihydroxy-3,4-dihydro-7,12-dimethylbenz(a)anthracene
  • BRN 4500017
  • CCRIS 992
  • Dmba 3,4-dihydrodiol
  • Dmba-3,4-dihydrodiol,trans-
  • trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz(a)anthracene
  • trans-3,4-Dihydro-3,4-dihydroxy-dmba
  • trans-7,12-Dimethylbenz(a)anthracene-3,4-dihydrodiol
  • UNII-U6AIJ1G484

Systematic Names

  • Benz(a)anthracene, 3,4-dihydro-3,4-dihydroxy-7,12-dimethyl-, (E)-
  • trans-7,12-Dimethylbenz(a)anthracene-3,4-dihydrodiol

Registry Numbers

CAS Registry Number

  • 68162-13-0

FDA UNII

  • U6AIJ1G484

System Generated Number

  • 0068162130

Structure Descriptors

InChI

1S/C20H18O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,18,20-22H,1-2H3/t18-,20-/m0/s1

InChIKey

YZIIKMBFHLJAFT-ICSRJNTNSA-N

Smiles

Cc1c2ccccc2c(C)c3c4C=C[C@H](O)[C@@H](O)c4ccc13