Sodium estrone sulfate

CAS Registry Number®

438-67-5
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CAS Name

Sodium estrone sulfate

Molecular Formula

C18H22O5S.Na

Cite this Page

Sodium estrone sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=438-67-5 (retrieved 2024-04-24) (CAS RN: 438-67-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    226-228 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=NXIYWKXROFOTPA-ZFINNJDLSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OS(=O)(=O)O)=CC4)(CC1)[H])[H])(CCC2=O)[H].[Na]

Canonical SMILES

[Na].O=C1CCC2C3CCC4=CC(OS(=O)(=O)O)=CC=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, sodium salt (1:1)
  • Estrone, hydrogen sulfate sodium salt
  • Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, sodium salt
  • Estrone sulfate sodium salt
  • Estrone sodium sulfate

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