ESTRIOL 3-SULFATE POTASSIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H23O6S.K
Molecular Weight	406.535
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESTRIOL 3-SULFATE POTASSIUM

Structure Search

SMILES

[K+].[H][C@@]12C[C@@H](O)[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=KORCAQPEVSHBJO-OBXBXFETSA-M

InChI=1S/C18H24O6S.K/c1-18-7-6-13-12-5-3-11(24-25(21,22)23)8-10(12)2-4-14(13)15(18)9-16(19)17(18)20;/h3,5,8,13-17,19-20H,2,4,6-7,9H2,1H3,(H,21,22,23);/q;+1/p-1/t13-,14-,15+,16-,17+,18+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C18H23O6S
Molecular Weight	367.437
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	K
Molecular Weight	39.0983
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 `Sat Dec 16 19:06:16 GMT 2023` Edited by `admin` on `Sat Dec 16 19:06:16 GMT 2023`
Record UNII	9LMP5F8254
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRIOL 3-SULFATE POTASSIUM

Common Name

English

ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, 3-(HYDROGEN SULFATE), MONOPOTASSIUM SALT, (16.ALPHA.,17.BETA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

9LMP5F8254

Created by admin on Sat Dec 16 19:06:17 GMT 2023 , Edited by admin on Sat Dec 16 19:06:17 GMT 2023

PRIMARY

PUBCHEM

157010718

Created by admin on Sat Dec 16 19:06:17 GMT 2023 , Edited by admin on Sat Dec 16 19:06:17 GMT 2023

PRIMARY

CAS

71324-21-5

Created by admin on Sat Dec 16 19:06:17 GMT 2023 , Edited by admin on Sat Dec 16 19:06:17 GMT 2023

PRIMARY

Related Record Type Details


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ESTRIOL 3-SULFATE

PARENT -> SALT/SOLVATE

Amount: