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Substance Name: Sodium equilin sulfate
RN: 16680-47-0
UNII: 7XY8FW3E68
InChIKey: QTTMOCOWZLSYSV-QWAPEVOJSA-M

Note

  • An estrogenic steroid produced by HORSES. It has a total of four double bonds in the A- and B-ring. High concentration of euilin is found in the URINE of pregnant mares.

Molecular Formula

  • C18-H20-O5-S.Na

Molecular Weight

  • 370.3991
 

Classification Codes

Classification Code

  • Tumor Data

Superlist Classification Code

  • Known to be a Carcinogen
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Names and Synonyms

Results Name

  • Sodium equilin sulfate

Name of Substance

  • Sodium equilin sulfate

Synonyms

  • 17-Oxoestra-1,3,5(10),7-tetraen-3-yl sodium sulfate
  • EINECS 240-727-2
  • Equilin sodium sulfate
  • Equilin, sulfate, sodium salt (6CI)
  • Sodium equilin 3-monosulfate
  • Sodium equilin sulfate
  • UNII-7XY8FW3E68

Systematic Names

  • Estra-1,3,5(10),7-tetraen-17-one, 3-(sulfooxy)-, sodium salt
  • Estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy-, hydrogen sulfate sodium salt (8CI)

Superlist Name

  • Conjugated estrogens: sodium equilin sulfate

Registry Numbers

CAS Registry Number

  • 16680-47-0

FDA UNII

  • 7XY8FW3E68

Related Registry Number

  • 27540-07-4 (Parent)

System Generated Number

  • 0016680470

Molecular Formulas

Molecular Formula

  • C18-H20-O5-S.Na

Molecular Formula Fragments

  • C18-H20-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H20O5S.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;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1

InChIKey

QTTMOCOWZLSYSV-QWAPEVOJSA-M

Smiles

[Na+].C[C@]12CC[C@H]3C(=CCc4cc(OS(=O)(=O)[O-])ccc34)[C@@H]1CCC2=O