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Substance Name: Sodium (3S-(3alpha,4beta,21beta))-(14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionato(3-)-N23,N24,N25,N26)cuprate(1-)
RN: 84773-86-4
InChIKey: NQGZTIMVEQHIRA-QRCKMEGISA-K

Molecular Formula

  • C35-H31-Cu-N4-O6.Na

Molecular Weight

  • 690.1879
 
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Names and Synonyms

Synonym

  • EINECS 283-866-4

Systematic Name

  • Sodium (3S-(3alpha,4beta,21beta))-(14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionato(3-)-N23,N24,N25,N26)cuprate(1-)

Registry Numbers

CAS Registry Number

  • 84773-86-4

System Generated Number

  • 0084773864

Molecular Formulas

Molecular Formula

  • C35-H31-Cu-N4-O6.Na

Molecular Formula Fragments

  • C35-H31-Cu-N4-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H34N4O6.Cu.Na/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;;/h7,11-14,16,20,31H,1,8-10H2,2-6H3,(H3,36,37,38,39,40,41,42,43);;/q;+2;+1/p-3/t16-,20-,31+;;/m0../s1

InChIKey

NQGZTIMVEQHIRA-QRCKMEGISA-K

Smiles

[Na+].CCC1=C(C=O)C2=N/C/1=C\C3=C(C)C4=C5O[Cu-]6OC(=O)CC[C@H]7[C@H](C)\C(=C\C8=N\C(=C/2)\C(=C8C)C=C)\N=C7C(=C4N36)[C@H]5C(=O)OC