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Substance Name: 4'-Deoxydaunomycin
RN: 63568-77-4
InChIKey: GWFZKHINCFHION-HCPKQARPSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C27-H29-N-O9.Cl-H

Molecular Weight

  • 547.985
 
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Names and Synonyms

Name of Substance

  • 4'-Deoxydaunomycin

Synonym

  • 4'-Deoxydaunorubicin hydrochloride

Systematic Name

  • 5,12-Naphthacenedione, 8-acetyl-10-((4-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (2S-(2-alpha(8R*,10R*),4-beta,6-beta))-, hydrochloride

Registry Numbers

CAS Registry Number

  • 63568-77-4

System Generated Number

  • 0063568774

Molecular Formulas

Molecular Formula

  • C27-H29-N-O9.Cl-H

Molecular Formula Fragments

  • C27-H29-N-O9
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H29NO9.ClH/c1-11-7-13(28)8-18(36-11)37-17-10-27(34,12(2)29)9-15-20(17)26(33)22-21(24(15)31)23(30)14-5-4-6-16(35-3)19(14)25(22)32;/h4-6,11,13,17-18,31,33-34H,7-10,28H2,1-3H3;1H/t11-,13+,17+,18-,27+;/m1./s1

InChIKey

GWFZKHINCFHION-HCPKQARPSA-N

Smiles

C[C@@H]1C[C@@H](C[C@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N.Cl