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Substance Name: Chlorobiocic acid
RN: 114515-20-7
InChIKey: GQENLIMEQYDTDJ-UHFFFAOYSA-N

Classification Codes

  • Antineoplastic Agents
  • Enzyme Inhibitors
  • Topoisomerase II Inhibitors
  • Topoisomerase Inhibitors

Molecular Weight

  • 415.827
 
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Names and Synonyms

Name of Substance

  • Chlorobiocic acid

Systematic Name

  • Benzamide, N-(8-chloro-4,7-dihydroxy-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)-

Registry Numbers

CAS Registry Number

  • 114515-20-7

System Generated Number

  • 0114515207

Structure Descriptors

InChI

1S/C21H18ClNO6/c1-10(2)3-4-11-9-12(5-7-14(11)24)20(27)23-17-18(26)13-6-8-15(25)16(22)19(13)29-21(17)28/h3,5-9,24-26H,4H2,1-2H3,(H,23,27)

InChIKey

GQENLIMEQYDTDJ-UHFFFAOYSA-N

Smiles

C(c1cc(c(cc1)O)C\C=C(\C)C)(=O)Nc1c(oc2c(c1O)ccc(c2Cl)O)=O