Calcium 2-acetoxybenzoate urea (1:2:1)

Basic Information

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CAS Number

5749-67-7

Molecular Formula

C19H18CaN2O9

Molecular Weight

458.4 g/mol

EINECS

227-273-0

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Off-White

Melting Point

No data available

Boiling Point

321.4ºC at 760 mmHg

Flash Point

131.2ºC

Solubility

Freely soluble in water and in dimethylformamide, practically insoluble in acetone and in anhydrous methanol.

Vapor Pressure

No data available

SMILES

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CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2]

InChI

InChI=1S/2C9H8O4.CH4N2O.Ca/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4;/h2*2-5H,1H3,(H,11,12);(H4,2,3,4);/q;;;+2/p-2

InChIKey

VYMUGTALCSPLDM-UHFFFAOYSA-L

LogP

2.89040

Complexity

235

Synonyms & References

English

Rheomin
Calpirinsan
UNII-N667F17JP1
Omegin
CARBASALATE CALCIUM [WHO-DD]
calcium; 2-acetyloxybenzoate; urea
CARBASALATE CALCIUM [MART.]
DB13612
AKOS025401461
CALCIUM ACETYLSALICYLATE CARBAMIDE
Carbasalate calcium (INN)
Carbasalatum calcicum
CARBASPIRIN CALCIUM
5749-67-7
N667F17JP1
EINECS 227-273-0
calcium;2-acetyloxybenzoate;urea
Carbasalate calcique [INN-French]
AS-13259
Carbasalato calcico [INN-Spanish]
Carbaspirin calcium (USAN)
Carbasalate?Calcium
A831468
AKOS015895683
Calcium carbaspirin
Carbasalatcalcium
Carbaspirin calium
AC-18297
Carbasalate calcique
Iromin
DTXSID90206099

MDL Number

MFCD00792569

EC Number

227-273-0

FAQ

What is Calcium 2-acetoxybenzoate Urea (1:2:1) (CAS: 5749-67-7)?

Calcium 2-acetoxybenzoate Urea (1:2:1), with CAS number 5749-67-7, is a white crystalline solid formed by the combination of calcium, 2-acetoxybenzoic acid (acetylsalicylate), and urea in a 1:2:1 molar ratio. It is water-soluble and commonly used in pharmaceutical formulations as a stabilizer or buffer. The compound exhibits mild acidity due to the acetoxybenzoate group and is stable under standard storage conditions.

What are the main uses of Calcium 2-acetoxybenzoate Urea (1:2:1) (CAS: 5749-67-7)?

Calcium 2-acetoxybenzoate Urea (1:2:1) (CAS: 5749-67-7) is primarily used in pharmaceuticals as an excipient to enhance drug stability and solubility. It also finds applications in industrial chemical synthesis and as a mild acidulant in food products. Researchers utilize it for studying salicylate derivatives and their interactions with urea-based compounds.

Is Calcium 2-acetoxybenzoate Urea (1:2:1) (CAS: 5749-67-7) safe?

Calcium 2-acetoxybenzoate Urea (1:2:1) (CAS: 5749-67-7) is generally considered safe when used as directed, with low toxicity in recommended doses. Handling precautions include wearing gloves and avoiding inhalation. Safety standards recommend adherence to OSHA guidelines, proper ventilation, and storage in secure containers to prevent accidental exposure.

How should Calcium 2-acetoxybenzoate Urea (1:2:1) (CAS: 5749-67-7) be stored?

Calcium 2-acetoxybenzoate Urea (1:2:1) (CAS: 5749-67-7) should be stored in a cool, dry place away from direct light. It requires an airtight container to maintain stability and prevent moisture ingress. Storage conditions should avoid high temperatures and humidity to ensure long-term preservation of its chemical properties.