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| CAS No.: | 64425-90-7 |
|---|---|
| Name: | CHOLINE MAGNESIUM TRISALICYLATE |
| Molecular Structure: | |
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| Formula: | C26H29MgNO10 |
| Molecular Weight: | 539.81 |
| Synonyms: | Choline magnesium trisalicylate;Trilisate;((1,2-Ethanediylbis(carbamodithioato))(2-))manganese, mixt. with ((1,2-ethanediylbis(carbamodithioato))(2-))zinc & 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl 2-buten oate;2-hydroxybenzoate; 2-hydroxybenzoic acid; 2-hydroxyethyl-trimethyl-azanium; magnesium(+2) cation;Ethanaminium,2-hydroxy-N,N,N-trimethyl-,salt with 2-hydroxybenzoic acid (1:1),mixt. with (T-4)-bis[2-(hydroxy-kO)benzoato-kO]- magnesium;Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 2-hydroxybenzoic acid (1:1), mixt. with 2-hydroxybenzoic acid magnesium salt (2:1); |
| PSA: | 173.65000 |
| LogP: | 1.46720 |
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Specification
The Choline magnesium trisalicylate, with CAS registry number 64425-90-7, has the systematic name of 2-hydroxy-N,N,N-trimethylethanaminium magnesium 2-hydroxybenzoate (1:1:3). Its classification codes are Analgesics, Non-Narcotic, Drug / Therapeutic Agent and Human Data. And the chemical formula of this chemical is C26H29MgNO10.
Physical properties of Choline magnesium trisalicylate: (1)#H bond acceptors: 11; (2)#H bond donors: 7; (3)#Freely Rotating Bonds: 9; (4)Polar Surface Area: 201.31 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Mg+2].O=C([O-])c1ccccc1O.C[N+](C)(C)CCO.[O-]C(=O)c1ccccc1O.[O-]C(=O)c1ccccc1O
(2)InChI: InChI=1/3C7H6O3.C5H14NO.Mg/c3*8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;/h3*1-4,8H,(H,9,10);7H,4-5H2,1-3H3;/q;;;+1;+2/p-3
(3)InChIKey: FQCQGOZEWWPOKI-DFZHHIFOAY
(4)Std. InChI: InChI=1S/3C7H6O3.C5H14NO.Mg/c3*8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;/h3*1-4,8H,(H,9,10);7H,4-5H2,1-3H3;/q;;;+1;+2/p-3
(5)Std. InChIKey: FQCQGOZEWWPOKI-UHFFFAOYSA-K
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 2313mg/kg (2313mg/kg) | Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 21, Pg. 36, 1986. | |
| women | TDLo | oral | 480mg/kg/8D-I (480mg/kg) | LIVER: LIVER FUNCTION TESTS IMPAIRED | Drug Intelligence and Clinical Pharmacy. Vol. 21, Pg. 621, 1987. |