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CHEBI:8389 - estrone sodium sulfate

ChEBI IDCHEBI:8389
ChEBI Nameestrone sodium sulfate
Stars
Last Modified1 October 2008
DownloadsMolfile
FormulaC18H21O5S.Na
Net Charge0
Average Mass372.418
Monoisotopic Mass372.10074
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(OS(=O)(=O)[O-])cc3CC[C@@]21[H].[Na+]
InChIInChI=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);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1
InChIKeyVUCAHVBMSFIGAI-ZFINNJDLSA-M
ChEBI Ontology
Outgoing Relation(s)
estrone sodium sulfate (CHEBI:8389) has functional parent estrone (CHEBI:17263)
estrone sodium sulfate (CHEBI:8389) is a organic sodium salt (CHEBI:38700)
estrone sodium sulfate (CHEBI:8389) is a steroid sulfate (CHEBI:16158)
IUPAC Name 
sodium 17-oxoestra-1(10),2,4-trien-3-yl sulfate
Synonyms  Source
17-Oxoestra-1,3,5(10)-trien-3-yl sodium sulfateChemIDplus
Estrogenic substances (conjugated)ChemIDplus
Estrone sodium sulfateChemIDplus
Estrone sulfate sodiumChEBI
Estrone-3-sulfate sodium saltChemIDplus
Oestrone-3-sulphate sodium saltChemIDplus
Brand Names  Source
ConestoralDrugBank
EvexDrugBank
HyhorinDrugBank
MorestinDrugBank
PremarinDrugBank
Manual XrefsDatabases
D00312KEGG DRUG
DB00286DrugBank
Registry NumbersSources
Beilstein:3835414Beilstein
CAS:438-67-5ChemIDplus