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Substance Name: 4-Demethoxydaunorubicin bis(hydrazone)
RN: 77313-12-3
InChIKey: FGUXPSZWORBDMC-CAIDVHOESA-N

Molecular Formula

  • C57-H63-N7-O18.3Cl-H

Molecular Weight

  • 1243.54
 
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Names and Synonyms

Name of Substance

  • 4-Demethoxydaunorubicin bis(hydrazone)

Synonyms

  • SC 33428
  • SC-33428
  • SC33428

Systematic Names

  • Pentanedioic acid, 3-amino-, bis((1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-6,11-dioxo-2-naphthacenyl)ethylidene)hydrazide), trihydrochloride, (2S-(2alpha,2(2R*,4R*),4alpha))-
  • Pentanedioic acid, 3-amino-, bis((1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-6,11-dioxo-2-naphthacenyl)ethylidene)hydrazide),trihydrochloride, (2S-(2-alpha,2(2R*,4R*),4-alpha))-

Registry Numbers

CAS Registry Number

  • 77313-12-3

System Generated Number

  • 0077313123

Molecular Formulas

Molecular Formula

  • C57-H63-N7-O18.3Cl-H

Molecular Formula Fragments

  • C57-H63-N7-O18
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C57H63N7O18.3ClH/c1-21-46(67)32(59)15-38(79-21)81-34-19-56(77,17-30-40(34)54(75)44-42(52(30)73)48(69)26-9-5-7-11-28(26)50(44)71)23(3)61-63-36(65)13-25(58)14-37(66)64-62-24(4)57(78)18-31-41(35(20-57)82-39-16-33(60)47(68)22(2)80-39)55(76)45-43(53(31)74)49(70)27-10-6-8-12-29(27)51(45)72;;;/h5-12,21-22,25,32-35,38-39,46-47,67-68,73-78H,13-20,58-60H2,1-4H3,(H,63,65)(H,64,66);3*1H/b61-23+,62-24+;;;

InChIKey

FGUXPSZWORBDMC-CAIDVHOESA-N

Smiles

C1[C@@H](N)[C@@H]([C@@H](C)O[C@@H]1O[C@@H]1c2c(C[C@@](C1)(\C(=N\NC(CC(CC(N\N=C(\[C@@]1(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(c3[C@@H](C1)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)N)O)O)C)=O)N)=O)C)O)c(c1c(c2O)C(c2c(cccc2)C1=O)=O)O)O.Cl.Cl.Cl