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Substance Name: 9-Deoxydoxorubicin
RN: 84519-42-6
InChIKey: KXAYNEKSZHDBGO-LOGLVVABSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C27-H29-N-O10

Molecular Weight

  • 527.523
 
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Names and Synonyms

Name of Substance

  • 9-Deoxydoxorubicin

Synonyms

  • 9-Deoxydoxorubicin
  • BRN 1415701

Systematic Names

  • 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8R-trans)-
  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,11-dihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8R-trans)-

Registry Numbers

CAS Registry Number

  • 84519-42-6

System Generated Number

  • 0084519426

Structure Descriptors

InChI

1S/C27H29NO10/c1-10-23(31)14(28)8-18(37-10)38-17-7-11(15(30)9-29)6-13-20(17)27(35)22-21(25(13)33)24(32)12-4-3-5-16(36-2)19(12)26(22)34/h3-5,10-11,14,17-18,23,29,31,33,35H,6-9,28H2,1-2H3/t10-,11+,14-,17-,18-,23+/m0/s1

InChIKey

KXAYNEKSZHDBGO-LOGLVVABSA-N

Smiles

c12c(c(c3c(c1O)C[C@H](C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@@H](O1)C)C(=O)CO)O)C(c1c(C2=O)cccc1OC)=O