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Substance Name: N-(3-pyridylmethyl)adriamycin
RN: 145785-62-2
InChIKey: GGTVPUWEBRGMCO-UHFFFAOYSA-N

Molecular Weight

  • 634.635
 
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Names and Synonyms

Name of Substance

  • N-(3-Pyridylmethyl)adriamycin

Synonyms

  • N-(3-Pyridylmethyl)adriamycin
  • YM-1
  • YM1 Doxorubicin analog

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 145785-62-2

System Generated Number

  • 0145785622

Structure Descriptors

InChI

1S/C33H34N2O11/c1-15-28(38)19(35-13-16-5-4-8-34-12-16)9-23(45-15)46-21-11-33(43,22(37)14-36)10-18-25(21)32(42)27-26(30(18)40)29(39)17-6-3-7-20(44-2)24(17)31(27)41/h3-8,12,15,19,21,23,28,35-36,38,40,42-43H,9-11,13-14H2,1-2H3

InChIKey

GGTVPUWEBRGMCO-UHFFFAOYSA-N

Smiles

N([C@@H]1[C@@H]([C@@H](O[C@@H](O[C@@H]2c3c(O)c4C(=O)c5c(C(=O)c4c(c3C[C@@](C2)(O)C(CO)=O)O)cccc5OC)C1)C)O)Cc1cccnc1