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Details

Stereochemistry ACHIRAL
Molecular Formula 2C5H7O3.Ca.2H2O
Molecular Weight 306.323
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM 3-METHYL-2-OXOBUTYRATE DIHYDRATE

SMILES

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

InChI

InChIKey=LTLGJFDNIYJNON-UHFFFAOYSA-L
InChI=1S/2C5H8O3.Ca.2H2O/c2*1-3(2)4(6)5(7)8;;;/h2*3H,1-2H3,(H,7,8);;2*1H2/q;;+2;;/p-2

HIDE SMILES / InChI

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H8O3
Molecular Weight 116.1152
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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:59:53 GMT 2023
Edited
by admin
on Sat Dec 16 08:59:53 GMT 2023
Record UNII
EB2L41T93M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM 3-METHYL-2-OXOBUTYRATE DIHYDRATE
Systematic Name English
BUTANOIC ACID, 3-METHYL-2-OXO-, CALCIUM SALT, DIHYDRATE
Common Name English
BUTANOIC ACID, 3-METHYL-2-OXO-, CALCIUM SALT, HYDRATE (2:1:2)
Systematic Name English
Code System Code Type Description
CAS
353241-22-2
Created by admin on Sat Dec 16 08:59:54 GMT 2023 , Edited by admin on Sat Dec 16 08:59:54 GMT 2023
PRIMARY
PUBCHEM
45043529
Created by admin on Sat Dec 16 08:59:54 GMT 2023 , Edited by admin on Sat Dec 16 08:59:54 GMT 2023
PRIMARY
FDA UNII
EB2L41T93M
Created by admin on Sat Dec 16 08:59:54 GMT 2023 , Edited by admin on Sat Dec 16 08:59:54 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE