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Substance Name: Daunomycin 4-methoxybenzoylhydrazone monohydrochloride
RN: 66996-49-4
InChIKey: XPJNALLKSPIRLR-VLLINASDSA-N

Molecular Formula

  • C35-H37-N3-O11.Cl-H

Molecular Weight

  • 712.148
 
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Names and Synonyms

Results Name

  • Daunomycin 4-methoxybenzoylhydrazone monohydrochloride

Synonyms

  • 4-Methoxybenzoic 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-3-methoxy-6,11-dioxo-2-naphthacenyl)ethylidene)hydrazide, monohydrochloride, (2S-cis)-
  • Daunomycin 4-methoxybenzoylhydrazone HCl
  • Daunomycin 4-methoxybenzoylhydrazone monohydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66996-49-4

System Generated Number

  • 0066996494

Molecular Formulas

Molecular Formula

  • C35-H37-N3-O11.Cl-H

Molecular Formula Fragments

  • C35-H37-N3-O11
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C35H37N3O11.ClH/c1-15-29(39)21(36)12-24(48-15)49-23-14-35(45,16(2)37-38-34(44)17-8-10-18(46-3)11-9-17)13-20-26(23)33(43)28-27(31(20)41)30(40)19-6-5-7-22(47-4)25(19)32(28)42;/h5-11,15,21,23-24,29,39,41,43,45H,12-14,36H2,1-4H3,(H,38,44);1H/b37-16+;

InChIKey

XPJNALLKSPIRLR-VLLINASDSA-N

Smiles

O1[C@@H](C[C@@H]([C@@H]([C@@H]1C)O)N)O[C@@H]1c2c(c(c3C(=O)c4cccc(c4C(=O)c3c2O)OC)O)C[C@@](C1)(O)\C(=N\NC(c1ccc(OC)cc1)=O)C.Cl