ESTRIOL SODIUM 3-SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H23O6S.Na
Molecular Weight	390.426
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[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=JHJBSZBEDQZYJP-OBXBXFETSA-M

InChI=1S/C18H24O6S.Na/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	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 `Sat Dec 16 19:05:17 GMT 2023` Edited by `admin` on `Sat Dec 16 19:05:17 GMT 2023`
Record UNII	NL7KCD6LFU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRIOL SODIUM 3-SULFATE

Common Name

English

ESTRIOL 3-SULFATE SODIUM SALT

Common Name

English

((8R,9S,13S,14S,16R,17R)-16,17-DIHYDROXY-13-METHYL-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA(A)PHENANTHREN-3-YL) HYDROGEN SULFATE; SODIUM HYDRIDE

Systematic Name

English

NSC-246095

Code

English

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

Systematic Name

English

ESTRIOL, 3-(HYDROGEN SULFATE) MONOSODIUM SALT

Common Name

English

Code System Code Type Description

PUBCHEM

101989543

Created by admin on Sat Dec 16 19:05:17 GMT 2023 , Edited by admin on Sat Dec 16 19:05:17 GMT 2023

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CAS

5150-64-1

Created by admin on Sat Dec 16 19:05:17 GMT 2023 , Edited by admin on Sat Dec 16 19:05:17 GMT 2023

PRIMARY

FDA UNII

NL7KCD6LFU

Created by admin on Sat Dec 16 19:05:17 GMT 2023 , Edited by admin on Sat Dec 16 19:05:17 GMT 2023

PRIMARY

NSC

246095

Created by admin on Sat Dec 16 19:05:17 GMT 2023 , Edited by admin on Sat Dec 16 19:05:17 GMT 2023

PRIMARY

Related Record Type Details


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ESTRIOL 3-SULFATE

PARENT -> SALT/SOLVATE

Amount: