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Details

Stereochemistry RACEMIC
Molecular Formula 2C8H7O3.Ca
Molecular Weight 342.357
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM MANDELATE

SMILES

[Ca++].OC(C([O-])=O)C1=CC=CC=C1.OC(C([O-])=O)C2=CC=CC=C2

InChI

InChIKey=GCXSYHGQGJCRRW-UHFFFAOYSA-L
InChI=1S/2C8H8O3.Ca/c2*9-7(8(10)11)6-4-2-1-3-5-6;/h2*1-5,7,9H,(H,10,11);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C8H7O3
Molecular Weight 151.1394
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 Wed Jul 05 22:48:31 UTC 2023
Edited
by admin
on Wed Jul 05 22:48:31 UTC 2023
Record UNII
29CS07FZII
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM MANDELATE
Common Name English
Mandelate calcium [WHO-DD]
Common Name English
MANDELATE CALCIUM
WHO-DD  
Common Name English
MANDELIC ACID CALCIUM SALT [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C255
Created by admin on Wed Jul 05 22:48:31 UTC 2023 , Edited by admin on Wed Jul 05 22:48:31 UTC 2023
Code System Code Type Description
MERCK INDEX
M7051
Created by admin on Wed Jul 05 22:48:31 UTC 2023 , Edited by admin on Wed Jul 05 22:48:31 UTC 2023
PRIMARY Merck Index
PUBCHEM
8654
Created by admin on Wed Jul 05 22:48:31 UTC 2023 , Edited by admin on Wed Jul 05 22:48:31 UTC 2023
PRIMARY
EVMPD
SUB14461MIG
Created by admin on Wed Jul 05 22:48:31 UTC 2023 , Edited by admin on Wed Jul 05 22:48:31 UTC 2023
PRIMARY
ChEMBL
CHEMBL2104215
Created by admin on Wed Jul 05 22:48:31 UTC 2023 , Edited by admin on Wed Jul 05 22:48:31 UTC 2023
PRIMARY
NCI_THESAURUS
C77069
Created by admin on Wed Jul 05 22:48:31 UTC 2023 , Edited by admin on Wed Jul 05 22:48:31 UTC 2023
PRIMARY
ECHA (EC/EINECS)
205-165-4
Created by admin on Wed Jul 05 22:48:31 UTC 2023 , Edited by admin on Wed Jul 05 22:48:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID30928384
Created by admin on Wed Jul 05 22:48:31 UTC 2023 , Edited by admin on Wed Jul 05 22:48:31 UTC 2023
PRIMARY
FDA UNII
29CS07FZII
Created by admin on Wed Jul 05 22:48:31 UTC 2023 , Edited by admin on Wed Jul 05 22:48:31 UTC 2023
PRIMARY
CAS
134-95-2
Created by admin on Wed Jul 05 22:48:31 UTC 2023 , Edited by admin on Wed Jul 05 22:48:31 UTC 2023
PRIMARY
SMS_ID
100000076501
Created by admin on Wed Jul 05 22:48:31 UTC 2023 , Edited by admin on Wed Jul 05 22:48:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE