SODIUM 17.ALPHA.-ESTRADIOL SULFATE

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.ALPHA.-ESTRADIOL SULFATE

Structure Search

SMILES

[Na+].[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]3([H])C4=CC=C(OS([O-])(=O)=O)C=C4CC[C@@]23[H]

InChI

InChIKey=LMJQCTISQYSLPF-JOWXCZTESA-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

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

Molecular Formula	C18H23O5S
Molecular Weight	351.437
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:36:53 UTC 2023` Edited by `admin` on `Fri Dec 15 16:36:53 UTC 2023`
Record UNII	52F6T5JXIO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 17.ALPHA.-ESTRADIOL SULFATE

Common Name

English

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 3-(HYDROGEN SULFATE), MONOSODIUM SALT, (17.ALPHA.)-

Common Name

English

SODIUM (17.ALPHA.)-17-HYDROXYESTRA-1,3,5(10)-TRIEN-3-YL SULFATE

Systematic Name

English

SODIUM (8R,9S,13S,14S,17R)-17-HYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA(A)PHENANTHREN-3-YL SULFATE

Common Name

English

17.ALPHA.-HYDROXYESTRA-1,3,5(10)-TRIEN-3-YL SODIUM SULFATE

Systematic Name

English

Code System Code Type Description

CAS

56050-04-5

Created by admin on Fri Dec 15 16:36:53 UTC 2023 , Edited by admin on Fri Dec 15 16:36:53 UTC 2023

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EPA CompTox

DTXSID40971422

Created by admin on Fri Dec 15 16:36:53 UTC 2023 , Edited by admin on Fri Dec 15 16:36:53 UTC 2023

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PUBCHEM

23671799

Created by admin on Fri Dec 15 16:36:53 UTC 2023 , Edited by admin on Fri Dec 15 16:36:53 UTC 2023

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FDA UNII

52F6T5JXIO

Created by admin on Fri Dec 15 16:36:53 UTC 2023 , Edited by admin on Fri Dec 15 16:36:53 UTC 2023

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