AG00IA8U

5749-67-7 | Benzoic acid, 2-(acetyloxy)-, calcium salt, compd. with urea (1:1)OTHER CA INDEX NAMES:Urea, compd. with calcium bis[2-(acetyloxy)benzoate] (1:1)

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CAS Number	5749-67-7
Catalog Number	AG00IA8U(AGN-PC-0SNVQS)
Chemical Name	Benzoic acid, 2-(acetyloxy)-, calcium salt, compd. with urea (1:1)OTHER CA INDEX NAMES:Urea, compd. with calcium bis[2-(acetyloxy)benzoate] (1:1)
EC Number	227-273-0
IUPAC Name	calcium;2-acetyloxybenzoate;urea
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
InChI Key	VYMUGTALCSPLDM-UHFFFAOYSA-L
MDL Number	MFCD00792569
Molecular Formula	C19H18CaN2O9
Molecular Weight	458.4322
SMILES	O=C([O-])C1=CC=CC=C1OC(C)=O.O=C([O-])C2=CC=CC=C2OC(C)=O.NC(N)=O.[Ca+2]
UNII	N667F17JP1
Synonyms	calcium acetylsalicylate complex with urea, calcium acetylsalicylic carbamidate, calcium carbasalate, calurin, carbaspirin calcium, carbosalate calcium, Carbasalate calcium, CARBASPIRIN CALCIUM, Alcacyl, 5749-67-7, Rheomin, Solupsan, Omegin, UNII-N667F17JP1, Carbaspirin calcium [USAN], N667F17JP1, calcium; 2-acetyloxybenzoate; urea, Carbasalate calcium (INN), Carbasalate calcium [INN], Carbaspirin calcium (USAN), Calpirinsan, Carbasalatcalcium, Carbaspirin calium, Carbasalato calcico, Carbasalate calcique, Carbasalatum calcicum, carbasalate-calcium, Carbasalate calcique [INN-French], Carbasalato calcico [INN-Spanish], Carbasalatum calcicum [INN-Latin], Carbasalate?Calcium, EINECS 227-273-0, Calcium acetylsalicylate complex with urea, AC1L2JHJ, CHEMBL3833325, CTK8F8452, DTXSID90206099, KS-00000FV9, Benzoic acid, 2-(acetyloxy)-, calcium salt, compd. with urea (1:1), Salicylic acid acetate calcium salt, compound with urea (1:1) complex, AKOS015895683, AKOS025401461, API0024283, AC-18297, AS-13259, D03385, A831468, Benzoic acid, 2-(acetyloxy)-, calcium salt, compd. with urea (1:1)OTHER CA INDEX NAMES:Urea, compd. with calcium bis[2-(acetyloxy)benzoate] (1:1), Iromin, Calurin, C19H18CaN2O9, C19-H18-Ca-N2-O9, C9H8O4.CH4N2O.1/2Ca, CID21975, CS-L-00134, Salicylic acid acetate, calcium salt, compd. with urea (1:1), Benzoic acid, 2-(acetyloxy)-, calcium salt, compound with urea (1:1),

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	458.064g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	458.436g/mol
Monoisotopic Mass	458.064g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	202A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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