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Substance Name: Nemorubicin [INN]
RN: 108852-90-0
UNII: 7618O47BQM
InChIKey: CTMCWCONSULRHO-UHQPFXKFSA-N

Molecular Formula

  • C32-H37-N-O13

Molecular Weight

  • 643.638
 
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Names and Synonyms

Name of Substance

  • Methoxy-morpholinyl-doxorubicin
  • Nemorubicin [INN]

Synonyms

  • (1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-3-((S)-2-methoxymorpholino)-alpha-L-lyxo-hexopyranoside
  • Methoxymorpholino-doxorubicin
  • Methoxymorpholinyl doxorubicin
  • Nemorubicin
  • Pnu 152243
  • UNII-7618O47BQM

Systematic Names

  • (1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-3-((S)-2-methoxymorpholino)-alpha-L-lyxo-hexopyranoside
  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(2-methoxy-4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 108852-90-0

FDA UNII

  • 7618O47BQM

System Generated Number

  • 0108852900

Structure Descriptors

InChI

1S/C32H37NO13/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(15)30(26)39/h4-6,14,17,19,21-22,27,34,36,38,40-41H,7-13H2,1-3H3/t14-,17-,19-,21-,22-,27+,32-/m0/s1

InChIKey

CTMCWCONSULRHO-UHQPFXKFSA-N

Smiles

c1(cccc2c1C(c1c(O)c3c(c(c1C2=O)O)C[C@](C(CO)=O)(O)C[C@@H]3O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)[N@]1CCO[C@@H](C1)OC)=O)OC