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Substance Name: Padeliporfin [INN]
RN: 759457-82-4
UNII: EEO29FZT86
InChIKey: MZRDSGWDVDESRC-VNWQTDIGSA-L

Molecular Formula

  • C37-H43-N5-O9-Pd-S

Molecular Weight

  • 840.2587
 
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Names and Synonyms

Name of Substance

  • Padeliporfin [INN]

Synonyms

  • Padeliporfin
  • Stakel
  • UNII-EEO29FZT86
  • WST 1

Registry Numbers

CAS Registry Number

  • 759457-82-4

FDA UNII

  • EEO29FZT86

Other Registry Number

  • 810668-82-7

System Generated Number

  • 0759457824

Structure Descriptors

InChI

1S/C37H45N5O9S.Pd/c1-8-22-17(2)25-16-30-33(21(6)43)19(4)27(40-30)14-26-18(3)23(9-10-31(44)45)35(41-26)24(13-32(46)51-7)36-34(37(47)38-11-12-52(48,49)50)20(5)28(42-36)15-29(22)39-25;/h14-18,22-23H,8-13H2,1-7H3,(H5,38,39,40,41,42,43,44,45,47,48,49,50);/q;+2/p-2/t17-,18+,22-,23+;/m1./s1

InChIKey

MZRDSGWDVDESRC-VNWQTDIGSA-L

Smiles

[Pd+2].CC[C@@H]1[C@@H](C)\C\2=C\c3[n-]c(\C=C\4/N=C([C@@H](CCC(=O)O)[C@@H]4C)\C(=C\5/[N-]\C(=C/C1=N2)\C(=C5C(=O)NCCS(=O)(=O)O)C)\CC(=O)OC)c(C)c3C(=O)C