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Substance Name: Daunomycin 4-chlorobenzoylhydrazone monohydrochloride
RN: 66996-53-0
InChIKey: TWPKQOAFJZUCMV-KSTNTHOBSA-N

Molecular Weight

  • 716.568
 
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Names and Synonyms

Results Name

  • Daunomycin 4-chlorobenzoylhydrazone monohydrochloride

Synonyms

  • 4-Chlorobenzoic acid (1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-`,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-doxo-2-naphthacenyl)ethylidene)hydrazide, monohydrochloride, (2S-cis)-
  • Daunomycin 4-chlorobenzoylhydrazone HCl
  • Daunomycin 4-chlorobenzoylhydrazone monohydrochloride

Systematic Name

  • Benzoic acid, 4-chloro-, (1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-`,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-doxo-2-naphthacenyl)ethylidene)hydrazide, monohydrochloride, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 66996-53-0

System Generated Number

  • 0066996530

Structure Descriptors

InChI

1S/C34H34ClN3O10.ClH/c1-14-28(39)20(36)11-23(47-14)48-22-13-34(45,15(2)37-38-33(44)16-7-9-17(35)10-8-16)12-19-25(22)32(43)27-26(30(19)41)29(40)18-5-4-6-21(46-3)24(18)31(27)42;/h4-10,14,20,22-23,28,39,41,43,45H,11-13,36H2,1-3H3,(H,38,44);1H/b37-15+;/t14-,20-,22+,23-,28+,34-;/m0./s1

InChIKey

TWPKQOAFJZUCMV-KSTNTHOBSA-N

Smiles

c12c(C(c3c(OC)cccc3C1=O)=O)c(c1[C@@H](C[C@@](Cc1c2O)(\C(=N\NC(c1ccc(cc1)Cl)=O)C)O)O[C@H]1O[C@H]([C@@H](O)[C@H](C1)N)C)O.Cl