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Substance Name: N,N-bis(3-pyridylmethyl)adriamycin
RN: 145785-64-4
InChIKey: BCHRZIGRQLSNRO-UHFFFAOYSA-N

Molecular Weight

  • 725.747
 
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Names and Synonyms

Name of Substance

  • N,N-Bis(3-pyridylmethyl)adriamycin

Synonyms

  • N,N-Bis(3-pyridylmethyl)adriamycin
  • YM-6
  • YM6 Doxorubicin analog

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 145785-64-4

System Generated Number

  • 0145785644

Structure Descriptors

InChI

1S/C39H39N3O11/c1-20-34(45)25(42(17-21-6-4-10-40-15-21)18-22-7-5-11-41-16-22)12-29(52-20)53-27-14-39(50,28(44)19-43)13-24-31(27)38(49)33-32(36(24)47)35(46)23-8-3-9-26(51-2)30(23)37(33)48/h3-11,15-16,20,25,27,29,34,43,45,47,49-50H,12-14,17-19H2,1-2H3

InChIKey

BCHRZIGRQLSNRO-UHFFFAOYSA-N

Smiles

N([C@@H]1C[C@@H](O[C@@H]2c3c(c(c4C(=O)c5cccc(OC)c5C(=O)c4c3O)O)C[C@@](C2)(O)C(CO)=O)O[C@@H]([C@@H]1O)C)(Cc1cccnc1)Cc1cccnc1