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Substance Name: Daunomycin 3,4-dichlorobenzoylhydrazone monohydrochloride
RN: 66996-54-1
InChIKey: OEXFGUZYSWDUME-YMGYDFJQSA-N

Molecular Weight

  • 751.013
 
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Names and Synonyms

Results Name

  • Daunomycin 3,4-dichlorobenzoylhydrazone monohydrochloride

Synonyms

  • 3,4-Dichlorobenzoic acid (1-(4-((3-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)ethylidene)hydrazide, monohydrochloride, (2S-cis)-
  • Daunomycin 3,4-dichlorobenzoylhydrazone monohydrochloride
  • NSC 221266

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66996-54-1

System Generated Number

  • 0066996541

Structure Descriptors

InChI

1S/C34H33Cl2N3O10.ClH/c1-13-28(40)20(37)10-23(48-13)49-22-12-34(46,14(2)38-39-33(45)15-7-8-18(35)19(36)9-15)11-17-25(22)32(44)27-26(30(17)42)29(41)16-5-4-6-21(47-3)24(16)31(27)43;/h4-9,13,20,22-23,28,40,42,44,46H,10-12,37H2,1-3H3,(H,39,45);1H/b38-14+;/t13-,20-,22+,23-,28+,34-;/m0./s1

InChIKey

OEXFGUZYSWDUME-YMGYDFJQSA-N

Smiles

c12c(C(c3c(OC)cccc3C1=O)=O)c(c1[C@@H](C[C@@](Cc1c2O)(\C(=N\NC(c1cc(Cl)c(cc1)Cl)=O)C)O)O[C@H]1O[C@H]([C@@H](O)[C@H](C1)N)C)O.Cl