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Substance Name: Sodium 17beta-dihydroequilin sulfate
RN: 16680-49-2
UNII: 8CC9ET5H86
InChIKey: CZFNZYFVJFYZML-UHFFLUDVSA-M

Molecular Formula

  • C18-H21-Na-O5-S

Molecular Weight

  • 372.4149
 
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Names and Synonyms

Name of Substance

  • Sodium 17beta-dihydroequilin sulfate

Synonyms

  • 17beta-Dihydroequilin sodium 3-sulfate
  • 17beta-Hydroxyestra-1,3,5(10),7-tetraen-3-yl sodium sulfate
  • UNII-8CC9ET5H86

Systematic Name

  • Estra-1,3,5(10),7-tetraene-3,17-diol, 3-(hydrogen sulfate), monosodium salt, (17beta)-

Registry Numbers

CAS Registry Number

  • 16680-49-2

FDA UNII

  • 8CC9ET5H86

System Generated Number

  • 0016680492

Structure Descriptors

InChI

1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16-17,19H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,17+,18+;/m1./s1

InChIKey

CZFNZYFVJFYZML-UHFFLUDVSA-M

Smiles

C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CC[C@@H]2O)OS(=O)(=O)[O-].[Na+]