SODIUM 17.ALPHA.-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.ALPHA.-DIHYDROEQUILENIN SULFATE

Structure Search

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

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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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