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Substance Name: Benzo(a)pyrene-6-carboxaldehyde thiosemicarbazone
RN: 64048-70-0
InChIKey: OKSSYPATHGMPPK-WYMPLXKRSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C22-H15-N3-S

Molecular Weight

  • 353.448
 
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Names and Synonyms

Synonym

  • 3,4-Benzpyrene-5-aldehyde thiosemicarbazone

Systematic Name

  • Benzo(a)pyrene-6-carboxaldehyde thiosemicarbazone

Registry Numbers

CAS Registry Number

  • 64048-70-0

System Generated Number

  • 0064048700

Structure Descriptors

InChI

1S/C22H15N3S/c23-22(26)25-24-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-12H,(H3,23,25,26)/b24-12+

InChIKey

OKSSYPATHGMPPK-WYMPLXKRSA-N

Smiles

c12c3c(\C=N\NC(=S)N)c4c(c1ccc1c2c(cc3)ccc1)cccc4