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Substance Name: Estradiol-3-sulfate
RN: 481-96-9
UNII: 4NKQ3751P6
InChIKey: QZIGLSSUDXBTLJ-ZBRFXRBCSA-N

Molecular Formula

  • C18-H24-O5-S

Molecular Weight

  • 352.4486
 
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Names and Synonyms

Name of Substance

  • Estradiol-3-sulfate

Synonyms

  • Estradiol 3-sulphate
  • Estradiol-3-sulfate
  • UNII-4NKQ3751P6

Systematic Name

  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(hydrogen sulfate)

Registry Numbers

CAS Registry Number

  • 481-96-9

FDA UNII

  • 4NKQ3751P6

Related Registry Number

  • 4999-79-5 (mono-Na salt)

System Generated Number

  • 0000481969

Structure Descriptors

InChI

1S/C18H24O5S/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/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1

InChIKey

QZIGLSSUDXBTLJ-ZBRFXRBCSA-N

Smiles

C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CC[C@@H]2O