Disodium (?S,2R,5Z)-4-Carboxy-2,5-dihydro-5-(4-hydroxybutylidene)-?-[(1R)-1-hydroxyethyl]-2-thiazoleacetic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H15NO6S.2Na
Molecular Weight	347.295
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Disodium (?S,2R,5Z)-4-Carboxy-2,5-dihydro-5-(4-hydroxybutylidene)-?-[(1R)-1-hydroxyethyl]-2-thiazoleacetic acid

Structure Search

SMILES

[Na+].[Na+].C[C@@H](O)[C@H]([C@H]1S\C(=C/CCCO)C(=N1)C([O-])=O)C([O-])=O

InChI

InChIKey=UGZVTVHLDCCTCN-DHIRNNANSA-L

InChI=1S/C12H17NO6S.2Na/c1-6(15)8(11(16)17)10-13-9(12(18)19)7(20-10)4-2-3-5-14;;/h4,6,8,10,14-15H,2-3,5H2,1H3,(H,16,17)(H,18,19);;/q;2*+1/p-2/b7-4-;;/t6-,8-,10-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C12H15NO6S
Molecular Weight	301.316
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:21:32 GMT 2025` Edited by `admin` on `Wed Apr 02 17:21:32 GMT 2025`
Record UNII	J6KA638MRD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Disodium (?S,2R,5Z)-4-Carboxy-2,5-dihydro-5-(4-hydroxybutylidene)-?-[(1R)-1-hydroxyethyl]-2-thiazoleacetic acid

Systematic Name

English

2-Thiazoleacetic acid, 4-carboxy-2,5-dihydro-5-(4-hydroxybutylidene)-?-(1-hydroxyethyl)-, disodium salt, [2R-[2R*[S*(R*)],5Z]]-

Preferred Name

English

2-Thiazoleacetic acid, 4-carboxy-2,5-dihydro-5-(4-hydroxybutylidene)-?-[(1R)-1-hydroxyethyl]-, disodium salt, (?S,2R,5Z)-

Systematic Name

English

Disodium (2R,5Z)-2-[(1S,2R)-1-carboxylato-2-hydroxypropyl]-5-(4-hydroxybutylidene)-2,5-dihydro-1,3-thiazole-4-carboxylate

Systematic Name

English

Disodium (2R,5Z)-2-[(1S,2R)-1-carboxylato-2-hydroxypropyl]-5-(4-hydroxybut-1-ylidene)-2,5-dihydro-1,3-thiazole-4-carboxylate

Systematic Name

English

Code System Code Type Description

FDA UNII

J6KA638MRD

Created by admin on Wed Apr 02 17:21:32 GMT 2025 , Edited by admin on Wed Apr 02 17:21:32 GMT 2025

PRIMARY

CAS

130609-10-8

Created by admin on Wed Apr 02 17:21:32 GMT 2025 , Edited by admin on Wed Apr 02 17:21:32 GMT 2025

PRIMARY

Related Record Type Details


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(?S,2R,5Z)-4-Carboxy-2,5-dihydro-5-(4-hydroxybutylidene)-?-[(1R)-1-hydroxyethyl]-2-thiazoleacetic acid

PARENT -> SALT/SOLVATE

Amount: