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Substance Name: N-(5,5-Diacetoxypentyl)doxorubicin
RN: 138967-27-8
InChIKey: RBQJFBGSQDDJKT-YTHWRKCVSA-N

Molecular Formula

  • C36-H43-N-O15

Molecular Weight

  • 729.728
 
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Names and Synonyms

Name of Substance

  • N-(5,5-Diacetoxypentyl)doxorubicin

Synonyms

  • Dapdox
  • N-(5,5-Dap)dox

Systematic Name

  • 5,12-Naphthacenedione, 10-((3-((5,5-bis(acetoxy)pentyl)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

  • 138967-27-8

System Generated Number

  • 0138967278

Structure Descriptors

InChI

1S/C36H43NO15/c1-16-31(42)21(37-11-6-5-10-25(50-17(2)39)51-18(3)40)12-26(49-16)52-23-14-36(47,24(41)15-38)13-20-28(23)35(46)30-29(33(20)44)32(43)19-8-7-9-22(48-4)27(19)34(30)45/h7-9,16,21,23,25-26,31,37-38,42,44,46-47H,5-6,10-15H2,1-4H3/t16-,21-,23-,26-,31+,36-/m0/s1

InChIKey

RBQJFBGSQDDJKT-YTHWRKCVSA-N

Smiles

N([C@H]1C[C@H](O[C@@H]2c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C[C@@](O)(C(=O)CO)C2)O[C@H]([C@H]1O)C)CCCCC(OC(C)=O)OC(C)=O