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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23O5S.Na
Molecular Weight 374.427
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 17.BETA.-ESTRADIOL SULFATE

SMILES

[Na+].[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OS([O-])(=O)=O)C=C4

InChI

InChIKey=LMJQCTISQYSLPF-CMZLOHJFSA-M
InChI=1S/C18H24O5S.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;/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,17+,18+;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SODIUM 17.BETA.-ESTRADIOL SULFATE
Common Name English
17.BETA.-HYDROXYESTRA-1,3,5(10)-TRIEN-3-YL SODIUM SULFATE
Systematic Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 3-(HYDROGEN SULFATE), SODIUM SALT (1:1)
Common Name English
17.BETA.-ESTRADIOL SODIUM SULFATE
Common Name English
17.BETA.-HYDROXYESTRA-1,3,5(10)-TRIEN-3-YL SODIUM SULPHATE
Systematic Name English
Code System Code Type Description
CAS
4999-79-5
Created by admin on Fri Dec 15 15:34:34 UTC 2023 , Edited by admin on Fri Dec 15 15:34:34 UTC 2023
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FDA UNII
WM8TR56GZ0
Created by admin on Fri Dec 15 15:34:34 UTC 2023 , Edited by admin on Fri Dec 15 15:34:34 UTC 2023
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PUBCHEM
23691039
Created by admin on Fri Dec 15 15:34:34 UTC 2023 , Edited by admin on Fri Dec 15 15:34:34 UTC 2023
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EPA CompTox
DTXSID70964483
Created by admin on Fri Dec 15 15:34:34 UTC 2023 , Edited by admin on Fri Dec 15 15:34:34 UTC 2023
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NCI_THESAURUS
C80804
Created by admin on Fri Dec 15 15:34:34 UTC 2023 , Edited by admin on Fri Dec 15 15:34:34 UTC 2023
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