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Substance Name: Estrone hydrogen sulfate
RN: 481-97-0
UNII: QTL48N278K
InChIKey: JKKFKPJIXZFSSB-CBZIJGRNSA-N

Note

  • Sulfoconjugated estrone.

Molecular Formula

  • C18-H22-O5-S

Molecular Weight

  • 350.4328
 
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Names and Synonyms

Name of Substance

  • Estrone hydrogen sulfate
  • Estrone sulfate

Synonyms

  • CCRIS 9319
  • EINECS 207-575-9
  • Estrone sulfate
  • Estrone sulphate
  • UNII-QTL48N278K

Systematic Name

  • 3-Hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate

Registry Numbers

CAS Registry Number

  • 481-97-0

FDA UNII

  • QTL48N278K

Related Registry Numbers

  • 1240-04-6 (potassium salt)
  • 438-67-5 (hydrochloride salt)

System Generated Number

  • 0000481970

Structure Descriptors

InChI

1S/C18H22O5S/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

JKKFKPJIXZFSSB-CBZIJGRNSA-N

Smiles

C1[C@@H]2[C@@H](c3c(cc(OS(O)(=O)=O)cc3)C1)CC[C@@]1([C@@H]2CCC1=O)C