SODIUM 17.BETA.-DIHYDROEQUILENIN SULFATE

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.BETA.-DIHYDROEQUILENIN SULFATE

Structure Search

SMILES

[Na+].C[C@]12CCC3=C4C=CC(OS([O-])(=O)=O)=CC4=CC=C3[C@@H]1CC[C@@H]2O

InChI

InChIKey=HBVSSZJQFZAJLK-UVJOBNTFSA-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	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:08:26 GMT 2025` Edited by `admin` on `Mon Mar 31 18:08:26 GMT 2025`
Record UNII	9NDN85IZ8Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

17.BETA.-DIHYDROEQUILENIN SODIUM 3-SULFATE

Preferred Name

English

SODIUM 17.BETA.-DIHYDROEQUILENIN SULFATE

Common Name

English

ESTRA-1,3,5,7,9-PENTAENE-3,17-DIOL, 3-(HYDROGEN SULFATE), MONOSODIUM SALT, (17.BETA.)-

Common Name

English

17.BETA.-HYDROXYESTRA-1,3,5,7,9-PENTAEN-3-YL SODIUM SULFATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80937249

Created by admin on Mon Mar 31 18:08:26 GMT 2025 , Edited by admin on Mon Mar 31 18:08:26 GMT 2025

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FDA UNII

9NDN85IZ8Y

Created by admin on Mon Mar 31 18:08:26 GMT 2025 , Edited by admin on Mon Mar 31 18:08:26 GMT 2025

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PUBCHEM

71316159

Created by admin on Mon Mar 31 18:08:26 GMT 2025 , Edited by admin on Mon Mar 31 18:08:26 GMT 2025

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CAS

16680-50-5

Created by admin on Mon Mar 31 18:08:26 GMT 2025 , Edited by admin on Mon Mar 31 18:08:26 GMT 2025

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