U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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

Approval Year

Name Type Language
KETOISOCAPROIC ACID CALCIUM DIHYDRATE
Common Name English
PENTANOIC ACID, 4-METHYL-2-OXO-, CALCIUM SALT, DIHYDRATE
Common 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 Sat Dec 16 09:09:51 GMT 2023 , Edited by admin on Sat Dec 16 09:09:51 GMT 2023
PRIMARY
FDA UNII
Y5VW6O1P4I
Created by admin on Sat Dec 16 09:09:51 GMT 2023 , Edited by admin on Sat Dec 16 09:09:51 GMT 2023
PRIMARY
PUBCHEM
16218381
Created by admin on Sat Dec 16 09:09:51 GMT 2023 , Edited by admin on Sat Dec 16 09:09:51 GMT 2023
PRIMARY