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Details

Stereochemistry RACEMIC
Molecular Formula 2C6H9O3.Ca
Molecular Weight 298.346
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM DL-3-METHYL-2-OXOVALERATE

SMILES

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

InChI

InChIKey=PTFSVYLXDCGPFY-UHFFFAOYSA-L
InChI=1S/2C6H10O3.Ca/c2*1-3-4(2)5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C6H9O3
Molecular Weight 129.1339
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 11:20:51 GMT 2023
Edited
by admin
on Sat Dec 16 11:20:51 GMT 2023
Record UNII
V3JCR2C58B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM DL-3-METHYL-2-OXOVALERATE
Common Name English
(RS)-3 Methyl-2-oxovalerianic acid calcium [WHO-DD]
Common Name English
(RS)-3 METHYL-2-OXOVALERIANIC ACID CALCIUM
WHO-DD  
Systematic Name English
CALCIUM 3-METHYL-2-OXOVALERATE, DL-
Common Name English
PENTANOIC ACID, 3-METHYL-2-OXO-, CALCIUM SALT, (±)-
Systematic Name English
PENTANOIC ACID, 3-METHYL-2-OXO-, CALCIUM SALT (2:1)
Systematic Name English
Code System Code Type Description
FDA UNII
V3JCR2C58B
Created by admin on Sat Dec 16 11:20:51 GMT 2023 , Edited by admin on Sat Dec 16 11:20:51 GMT 2023
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EPA CompTox
DTXSID70985496
Created by admin on Sat Dec 16 11:20:51 GMT 2023 , Edited by admin on Sat Dec 16 11:20:51 GMT 2023
PRIMARY
PUBCHEM
4326584
Created by admin on Sat Dec 16 11:20:51 GMT 2023 , Edited by admin on Sat Dec 16 11:20:51 GMT 2023
PRIMARY
SMS_ID
100000176939
Created by admin on Sat Dec 16 11:20:51 GMT 2023 , Edited by admin on Sat Dec 16 11:20:51 GMT 2023
PRIMARY
CAS
66872-75-1
Created by admin on Sat Dec 16 11:20:51 GMT 2023 , Edited by admin on Sat Dec 16 11:20:51 GMT 2023
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EVMPD
SUB192013
Created by admin on Sat Dec 16 11:20:51 GMT 2023 , Edited by admin on Sat Dec 16 11:20:51 GMT 2023
PRIMARY