Carbasalate calcium (5749-67-7)

IUPAC Name: calcium; 2-acetyloxybenzoate; urea CAS Registry Number 5749-67-7  Alcacyl ; Calcium acetylsalicylate complex with urea ; Iromin ; Rheomin ; Salicylic acid acetate calcium salt, compound with urea (1:1) complex ; Solupsan ; UNII-N667F17JP1 ; Benzoic acid, 2-(acetyloxy)-, calcium salt, compd. with urea (1:1) .

The Carbasalate Calcium is a mixture of calcium acetylsalicylate and urea. It is used as a platelet aggregation inhibitor. It also has antipyretic analgesic effect, which can be used for the treatment of pain and febrile diseases. This drug can be used to enhance the effect of anticoagulant, heparin, sulfonamides hypoglycemic agents and methotrexate, and may reduce some non-steroidal anti-inflammatory role. In certain doses, it can reduce the urinary excretion of uric acid to promote the role of medicine. Tinnitus, decreased hearing sensitivity and headache are usually a sign of overdose. Large doses may be poisoning to the elderly.

The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 1 ; (2)ACD/BCF (pH 7.4): 1 ; (3)ACD/KOC (pH 5.5): 1.08 ; (4)ACD/KOC (pH 7.4): 1 ; (5)#H bond acceptors: 4 ; (6)#H bond donors: 1 ; (7)#Freely Rotating Bonds: 3 ; (8)Enthalpy of Vaporization: 59.45 kJ/mol ; (9)Vapour Pressure: 0.000124 mmHg at 25°C ; (10)Rotatable Bond Count: 4 ; (11)Tautomer Count: 2 ; (12)Exact Mass: 458.063821 ; (13)MonoIsotopic Mass: 458.063821 ; (14)Topological Polar Surface Area: 202 ; (15)Heavy Atom Count: 31.

People can use the following data to convert to the molecule structure. SMILES: [Ca+2].O=C(Oc1ccccc1C([O-])=O)C.O=C(N)N.[O-]C(=O)c1ccccc1OC(=O)C; InChI:InChI=1/2C9H8O4.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.