Calcium 2-acetoxybenzoate - urea (1:2:1)
[CAS# 93803-83-9]

Identification

• Name: Calcium 2-acetoxybenzoate - urea (1:2:1)
• Synonyms: Calcium acetylsalicylate complex with urea; Carbasalatcalcium; CARBASPIRIN CALCIUM
• Molecular Formula: C₁₉H₁₈CaN₂O₉
• Molecular Weight: 458.43
• CAS Registry Number: 93803-83-9
• EINECS: 298-357-2
• SMILES: [Ca+2].O=C(Oc1ccccc1C([O-])=O)C.O=C(N)N.[O-]C(=O)c1ccccc1OC(=O)C
• 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

Properties

• Boiling point: 321.4°C at 760 mmHg (Cal.)
• Flash point: 131.2°C (Cal.)