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Details

Stereochemistry ACHIRAL
Molecular Formula 2C5H7O3.Ca
Molecular Weight 270.293
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM LEVULINATE ANHYDROUS

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C5H7O3
Molecular Weight 115.1073
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 Fri Dec 15 19:14:44 UTC 2023
Edited
by admin
on Fri Dec 15 19:14:44 UTC 2023
Record UNII
LLQ966USIL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM LEVULINATE ANHYDROUS
Common Name English
CALCIUM LAEVULATE
Common Name English
CALCIUM LEVULINATE (1:2)
Systematic Name English
CALCIUM LAEVULINATE
WHO-DD  
Common Name English
Calcium laevulinate [WHO-DD]
Common Name English
CALCIUM LEVULINATE [MI]
Common Name English
PENTANOIC ACID, 4-OXO-, CALCIUM SALT (2:1)
Common Name English
Classification Tree Code System Code
WHO-VATC QA12AA30
Created by admin on Fri Dec 15 19:14:44 UTC 2023 , Edited by admin on Fri Dec 15 19:14:44 UTC 2023
WHO-ATC A12AA30
Created by admin on Fri Dec 15 19:14:44 UTC 2023 , Edited by admin on Fri Dec 15 19:14:44 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID8060454
Created by admin on Fri Dec 15 19:14:44 UTC 2023 , Edited by admin on Fri Dec 15 19:14:44 UTC 2023
PRIMARY
ECHA (EC/EINECS)
209-725-9
Created by admin on Fri Dec 15 19:14:44 UTC 2023 , Edited by admin on Fri Dec 15 19:14:44 UTC 2023
PRIMARY
FDA UNII
LLQ966USIL
Created by admin on Fri Dec 15 19:14:44 UTC 2023 , Edited by admin on Fri Dec 15 19:14:44 UTC 2023
PRIMARY
EVMPD
SUB13187MIG
Created by admin on Fri Dec 15 19:14:44 UTC 2023 , Edited by admin on Fri Dec 15 19:14:44 UTC 2023
PRIMARY
SMS_ID
100000076571
Created by admin on Fri Dec 15 19:14:44 UTC 2023 , Edited by admin on Fri Dec 15 19:14:44 UTC 2023
PRIMARY
MERCK INDEX
m2951
Created by admin on Fri Dec 15 19:14:44 UTC 2023 , Edited by admin on Fri Dec 15 19:14:44 UTC 2023
PRIMARY Merck Index
CAS
591-64-0
Created by admin on Fri Dec 15 19:14:44 UTC 2023 , Edited by admin on Fri Dec 15 19:14:44 UTC 2023
PRIMARY
PUBCHEM
11578
Created by admin on Fri Dec 15 19:14:44 UTC 2023 , Edited by admin on Fri Dec 15 19:14:44 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY