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Substance Name: Doxorubicin octanoylhydrazone
RN: 76634-98-5
InChIKey: YFNRFXHHYCNVGO-AFZQDIHDSA-N

Molecular Formula

  • C35-H45-N3-O11

Molecular Weight

  • 683.7505
 
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Names and Synonyms

Results Name

  • Doxorubicin octanoylhydrazone

Name of Substance

  • Adriamycin octanoylhydrazone

Synonyms

  • Doxorubicin octanoylhydrazone
  • NSC 233853

Systematic Name

  • Octanoic acid, (1-(4-((3-amino-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)-2-hydroxyethylidene)hydrazide, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 76634-98-5

Other Registry Number

  • 75301-02-9

System Generated Number

  • 0076634985

Structure Descriptors

InChI

1S/C35H45N3O11/c1-4-5-6-7-8-12-24(40)38-37-23(16-39)35(46)14-19-27(22(15-35)49-25-13-20(36)30(41)17(2)48-25)34(45)29-28(32(19)43)31(42)18-10-9-11-21(47-3)26(18)33(29)44/h9-11,17,20,22,25,30,39,41,43,45-46H,4-8,12-16,36H2,1-3H3,(H,38,40)/b37-23+/t17-,20-,22-,25?,30+,35-/m0/s1

InChIKey

YFNRFXHHYCNVGO-AFZQDIHDSA-N

Smiles

CCCCCCCC(=O)N/N=C(\CO)/[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)OC)O)[C@H](C1)OC5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O