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Substance Name: 9-O-Daunosaminyl-4-demethoxydaunorubicin
RN: 99457-12-2
InChIKey: ZCYOZMZVADHTNV-UHFFFAOYSA-N

Molecular Formula

  • C32-H38-N2-O11.2Cl-H

Molecular Weight

  • 699.577
 
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Names and Synonyms

Name of Substance

  • 9-O-Daunosaminyl-4-demethoxydaunorubicin

Synonym

  • 9-Dadd

Systematic Name

  • 5,12-Naphthacenedione, 9-acetyl-7,9-bis((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-, dihydrochloride, (7S-cis)-

Registry Numbers

CAS Registry Number

  • 99457-12-2

System Generated Number

  • 0099457122

Molecular Formulas

Molecular Formula

  • C32-H38-N2-O11.2Cl-H

Molecular Formula Fragments

  • C32-H38-N2-O11
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C32H38N2O11.2ClH/c1-12-26(36)19(33)9-22(42-12)44-21-8-17-18(11-32(21,14(3)35)45-23-10-20(34)27(37)13(2)43-23)31(41)25-24(30(17)40)28(38)15-6-4-5-7-16(15)29(25)39;;/h4-7,12-13,19-23,26-27,36-37,40-41H,8-11,33-34H2,1-3H3;2*1H

InChIKey

ZCYOZMZVADHTNV-UHFFFAOYSA-N

Smiles

O1[C@@H](O[C@@H]2Cc3c(C[C@@]2(O[C@@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)N)C(C)=O)c(O)c2C(c4c(C(c2c3O)=O)cccc4)=O)C[C@@H]([C@@H]([C@@H]1C)O)N.Cl.Cl