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Substance Name: 4-Demethoxyadriamycin hydrochloride
RN: 64363-63-9
InChIKey: ZNJLFNGNIKMQFS-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C26-H27-N-O10.Cl-H

Molecular Weight

  • 549.957
 
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Names and Synonyms

Results Name

  • 4-Demethoxyadriamycin hydrochloride

Synonyms

  • 4-Demethoxyadriamycin HCl
  • 4-Demethoxyadriamycin hydrochloride
  • 4-Demethoxydoxorubicin hydrochloride

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-9-(hydroxyacetyl)-6,9,11-trihydroxy-, (7S-cis)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 64363-63-9

Related Registry Number

  • 64314-52-9 (Parent)

System Generated Number

  • 0064363639

Molecular Formulas

Molecular Formula

  • C26-H27-N-O10.Cl-H

Molecular Formula Fragments

  • C26-H27-N-O10
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H27NO10.ClH/c1-10-21(30)14(27)6-17(36-10)37-15-8-26(35,16(29)9-28)7-13-18(15)25(34)20-19(24(13)33)22(31)11-4-2-3-5-12(11)23(20)32;/h2-5,10,14-15,17,21,28,30,33-35H,6-9,27H2,1H3;1H

InChIKey

ZNJLFNGNIKMQFS-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H]([C@@H]([C@@H]1N)O)C)O[C@@H]1c2c(c(c3C(c4ccccc4C(c3c2O)=O)=O)O)C[C@@](C1)(O)C(CO)=O.Cl