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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H19O5S.Na
Molecular Weight 370.395
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 17.ALPHA.-DIHYDROEQUILENIN SULFATE

SMILES

[Na+].[H][C@@]12CC[C@@H](O)[C@@]1(C)CCC3=C2C=CC4=C3C=CC(OS([O-])(=O)=O)=C4

InChI

InChIKey=HBVSSZJQFZAJLK-RXQQAGQTSA-M
InChI=1S/C18H20O5S.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;/h2-5,10,16-17,19H,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t16-,17+,18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C18H19O5S
Molecular Weight 347.405
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:46:57 GMT 2023
Edited
by admin
on Fri Dec 15 15:46:57 GMT 2023
Record UNII
5O4ID28JI3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 17.ALPHA.-DIHYDROEQUILENIN SULFATE
Common Name English
ESTRA-1,3,5,7,9-PENTAENE-3,17-DIOL, 3-(HYDROGEN SULFATE), MONOSODIUM SALT, (17.ALPHA.)-
Common Name English
17.ALPHA.-DIHYDROEQUILENIN SODIUM 3-SULFATE
Common Name English
17.ALPHA.-HYDROXYESTRA-1,3,5,7,9-PENTAEN-3-YL SODIUM SULFATE
Systematic Name English
Code System Code Type Description
CAS
56086-66-9
Created by admin on Fri Dec 15 15:46:57 GMT 2023 , Edited by admin on Fri Dec 15 15:46:57 GMT 2023
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PUBCHEM
23671798
Created by admin on Fri Dec 15 15:46:57 GMT 2023 , Edited by admin on Fri Dec 15 15:46:57 GMT 2023
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FDA UNII
5O4ID28JI3
Created by admin on Fri Dec 15 15:46:57 GMT 2023 , Edited by admin on Fri Dec 15 15:46:57 GMT 2023
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EPA CompTox
DTXSID90971472
Created by admin on Fri Dec 15 15:46:57 GMT 2023 , Edited by admin on Fri Dec 15 15:46:57 GMT 2023
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