Basic information
- CAS
134-95-2- Standard SMILES
O=C([O-])C(O)c1ccccc1.O=C([O-])C(O)c1ccccc1.[Ca+2]- InChIKey
GCXSYHGQGJCRRW-UHFFFAOYSA-L- Molecular formula
- C16H14CaO6
- Average molar mass
- 342.36 g/mol
- Monoisotopic mass
- 342.041629
Overview
Calcium Mandelate is a calcium salt form of mandelic acid, an aromatic alpha hydroxy acid used in the treatment of urinary tract infections and as an oral antibiotic.
Names & identifiers
- Preferred name
- Calcium Mandelate
- IUPAC
- calcium bis(2-hydroxy-2-phenylacetate)
- English name
- CALCIUM MANDELATE
- Molecular formula
- C8H10CaO3
- Molecular weight
- 194.24
Names & synonyms
CALCIUM MANDELATE134-95-2Mandelate calciumCalcium mandelate [USP]UNII-29CS07FZII29CS07FZIIEINECS 205-165-4MANDELATE CALCIUM [WHO-DD]Calcium mandelate (USP)RefChem:122858205-165-4calcium 2-hydroxy-2-phenylacetate
Show more names
Dimandelic acid calciumDL-MANDELIC ACID CALCIUM SALTBis(α-hydroxybenzeneacetic acid)calcium saltBis(2-hydroxy-2-phenylacetic acid)calcium salt
Mandelic acid calcium saltcalcium;2-hydroxy-2-phenylacetateCalcium dimandelatecalcium bis[hydroxy(phenyl)acetate]SCHEMBL1680816CHEMBL2104215DTXSID30928384GCXSYHGQGJCRRW-UHFFFAOYSA-L
Database identifiers
- CAS
134-95-2- PubChem CID
- 8654
- DTXSID
DTXSID30928384- ChEMBL
CHEMBL2104215- UNII
- 29CS07FZII
- EC Number
- 205-165-4
- Nikkaji
- J27.596D
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- FDA UNII
- 29 CS07FZII · 29CS07FZII
Chemistry & industry
Suppliers3 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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