ETHACRYNATE CALCIUM DIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C13H11Cl2O4.Ca.4H2O
Molecular Weight	716.399
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHACRYNATE CALCIUM DIHYDRATE

Structure Search

SMILES

O.O.O.O.[Ca++].CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC([O-])=O)C=C1.CCC(=C)C(=O)C2=C(Cl)C(Cl)=C(OCC([O-])=O)C=C2

InChI

InChIKey=YIDUDQBVPLSVTH-UHFFFAOYSA-L

InChI=1S/2C13H12Cl2O4.Ca.4H2O/c2*1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17;;;;;/h2*4-5H,2-3,6H2,1H3,(H,16,17);;4*1H2/q;;+2;;;;/p-2

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C13H12Cl2O4
Molecular Weight	303.138
Charge	0
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 Jul 05 22:56:52 UTC 2023` Edited by `admin` on `Wed Jul 05 22:56:52 UTC 2023`
Record UNII	TPH43E35PH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHACRYNATE CALCIUM DIHYDRATE

Common Name

English

CALCIUM ETHACRYNATE DIHYDRATE

Common Name

English

ACETIC ACID, (2,3-DICHLORO-4-(2-METHYLENE-1-OXOBUTYL)PHENOXY)-, CALCIUM SALT, TETRAHYDRATE

Systematic Name

English

ACETIC ACID, 2-(2,3-DICHLORO-4-(2-METHYLENE-1-OXOBUTYL)PHENOXY)-, CALCIUM SALT, HYDRATE (2:1:4)

Systematic Name

English

Code System Code Type Description

PUBCHEM

133082859

Created by admin on Wed Jul 05 22:56:52 UTC 2023 , Edited by admin on Wed Jul 05 22:56:52 UTC 2023

PRIMARY

CAS

7541-97-1

Created by admin on Wed Jul 05 22:56:52 UTC 2023 , Edited by admin on Wed Jul 05 22:56:52 UTC 2023

PRIMARY

FDA UNII

TPH43E35PH

Created by admin on Wed Jul 05 22:56:52 UTC 2023 , Edited by admin on Wed Jul 05 22:56:52 UTC 2023

PRIMARY

Related Record Type Details


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ETHACRYNIC ACID

PARENT -> SALT/SOLVATE