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Substance Name: 11-Deoxyadriamycin
RN: 71800-89-0
InChIKey: JBVCUZWDGRKRKU-CYMFRXPCSA-N

Molecular Formula

  • C27-H29-N-O10

Molecular Weight

  • 527.5231
 
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Names and Synonyms

Name of Substance

  • 11-Deoxyadriamycin

Synonyms

  • (8S-cis)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-8,11-dihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
  • 11-Deoxydoxorubicin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71800-89-0

System Generated Number

  • 0071800890

Structure Descriptors

InChI

1S/C27H29NO10/c1-11-23(31)15(28)7-19(37-11)38-17-9-27(35,18(30)10-29)8-12-6-14-22(25(33)20(12)17)26(34)21-13(24(14)32)4-3-5-16(21)36-2/h3-6,11,15,17,19,23,29,31,33,35H,7-10,28H2,1-2H3/t11-,15-,17-,19-,23+,27-/m0/s1

InChIKey

JBVCUZWDGRKRKU-CYMFRXPCSA-N

Smiles

COc1cccc2C(=O)c3cc4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO