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Substance Name: Estriol sodium succinate [INN:BAN]
RN: 113-22-4
UNII: 64I100CU65
InChIKey: WHMFJWUAHROXHB-KQAQVGESSA-L

Molecular Formula

  • C26-H32-O9.2Na

Molecular Weight

  • 532.494
 
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Names and Synonyms

Name of Substance

  • Estriol 16,17-bis(sodium hemisuccinate)
  • Estriol sodium succinate [INN:BAN]

Synonyms

  • Estriol sodium succinate
  • UNII-64I100CU65

Systematic Name

  • Estra-1,3,5(10)-triene-3,16,17-triol, 16,17-bis(hydrogen butanedioate), disodium salt, (16alpha,17beta)-

Registry Numbers

CAS Registry Number

  • 113-22-4

FDA UNII

  • 64I100CU65

Related Registry Number

  • 514-68-1 (Parent)

System Generated Number

  • 0000113224

Molecular Formulas

Molecular Formula

  • C26-H32-O9.2Na

Molecular Formula Fragments

  • C26-H32-O9
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H32O9.2Na/c1-26-11-10-17-16-5-3-15(27)12-14(16)2-4-18(17)19(26)13-20(34-23(32)8-6-21(28)29)25(26)35-24(33)9-7-22(30)31;;/h3,5,12,17-20,25,27H,2,4,6-11,13H2,1H3,(H,28,29)(H,30,31);;/q;2*+1/p-2/t17-,18-,19+,20-,25+,26+;;/m1../s1

InChIKey

WHMFJWUAHROXHB-KQAQVGESSA-L

Smiles

c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](OC(CCC([O-])=O)=O)[C@@H]2OC(CCC([O-])=O)=O.[Na+].[Na+]