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5743-30-6

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5743-30-6 Structure

5743-30-6 Structure
IdentificationBack Directory
[Name]

Calcium benzoate trihydrate
[CAS]

5743-30-6
[Synonyms]

Calcium Benzoate (200 mg)
CALCIUM BENZOATE TRIHYDRATE
[Molecular Formula]

C14H16CaO7
[MDL Number]

MFCD00167164
[MOL File]

5743-30-6.mol
[Molecular Weight]

336.35
Chemical PropertiesBack Directory
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/2C7H6O2.Ca.3H2O/c2*8-7(9)6-4-2-1-3-5-6;;;;/h2*1-5H,(H,8,9);;3*1H2/q;;+2;;;/p-2
[InChIKey]

HZQXCUSDXIKLGS-UHFFFAOYSA-L
[SMILES]

[Ca+2].[O-]C(=O)c2ccccc2.[O-]C(=O)c1ccccc1.O.O.O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2916310002
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Calcium Benzoate is a salt of Benzoic Acid (B203900) used in the synthesis of 1,3,4-oxadiazoles with pharmaceutical activity. Also used in the synthesis of selective human A3 adenosine receptor antagonists.
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