KETOISOCAPROIC ACID CALCIUM DIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C6H9O3.Ca.2H2O
Molecular Weight	334.376
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of KETOISOCAPROIC ACID CALCIUM DIHYDRATE

Structure Search

SMILES

O.O.[Ca++].CC(C)CC(=O)C([O-])=O.CC(C)CC(=O)C([O-])=O

InChI

InChIKey=ZDWTWIPSCCEWEZ-UHFFFAOYSA-L

InChI=1S/2C6H10O3.Ca.2H2O/c2*1-4(2)3-5(7)6(8)9;;;/h2*4H,3H2,1-2H3,(H,8,9);;2*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	C6H9O3
Molecular Weight	129.1339
Charge	-1
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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:31:58 GMT 2025` Edited by `admin` on `Mon Mar 31 22:31:58 GMT 2025`
Record UNII	Y5VW6O1P4I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KETOISOCAPROIC ACID CALCIUM DIHYDRATE

Common Name

English

PENTANOIC ACID, 4-METHYL-2-OXO-, CALCIUM SALT, DIHYDRATE

Preferred Name

English

PENTANOIC ACID, 4-METHYL-2-OXO-, CALCIUM SALT, HYDRATE (2:1:2)

Systematic Name

English

Code System Code Type Description

CAS

352538-33-1

Created by admin on Mon Mar 31 22:31:58 GMT 2025 , Edited by admin on Mon Mar 31 22:31:58 GMT 2025

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FDA UNII

Y5VW6O1P4I

Created by admin on Mon Mar 31 22:31:58 GMT 2025 , Edited by admin on Mon Mar 31 22:31:58 GMT 2025

PRIMARY

PUBCHEM

16218381

Created by admin on Mon Mar 31 22:31:58 GMT 2025 , Edited by admin on Mon Mar 31 22:31:58 GMT 2025

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