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Trisalicylate-Choline

Trisalicylate-Choline

Synopsis, Chemistry

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Also known as: 64425-90-7, Djj95fjp1h, Choline magnesium salicylate, Cholinemagnesiumtrisalicylate, Trisalicylate-choline, Tegunor

Molecular Formula

C₂₆H₂₉MgNO₁₀

Molecular Weight

539.8 g/mol

InChI Key

FQCQGOZEWWPOKI-UHFFFAOYSA-K

FDA UNII

DJJ95FJP1H

Choline Magnesium Trisalicylate is a nonsteroidal anti-inflammatory drug (NSAID) belonging to the salicylate family. Choline magnesium trisalicylate inhibits inflammation-related prostaglandin synthesis. This agent's analgesic effect is mediated through peripheral and central pathways, resulting in a decrease in pain perception; its antipyretic effect is mediated via the hypothalamic heat regulation center. (NCI04)

1 2D Structure

Trisalicylate-Choline

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

magnesium;2-carboxyphenolate;2-hydroxyethyl(trimethyl)azanium

2.1.2 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

2.1.3 InChI Key

FQCQGOZEWWPOKI-UHFFFAOYSA-K

2.1.4 Canonical SMILES

C[N+](C)(C)CCO.C1=CC=C(C(=C1)C(=O)O)[O-].C1=CC=C(C(=C1)C(=O)O)[O-].C1=CC=C(C(=C1)C(=O)O)[O-].[Mg+2]

2.2 Other Identifiers

2.2.1 UNII

DJJ95FJP1H

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Tegunor

2. Tricosal

3. Trilisate

2.3.2 Depositor-Supplied Synonyms

1. 64425-90-7

2. Djj95fjp1h

3. Choline Magnesium Salicylate

4. Cholinemagnesiumtrisalicylate

5. Trisalicylate-choline

6. Tegunor

7. Tricolsal

8. Unii-djj95fjp1h

9. Tricosal (tn)

10. Choline Mixture With Magnesium Salicylate

11. Dtxsid901344133

12. Db01401

13. Nsc 751675

14. D07694

15. Choline Magnesium Trisalicylate [who-dd]

16. Q20817211

17. ((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

18. Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, 2-hydroxybenzoate (1:1), Mixt. With (t-4)-bis(2-(hydroxy-.kappa.o)benzoato-.kappa.o)magnesium

19. Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, Salt With 2-hydroxybenzoic Acid (1:1), Mixt. With 2-hydroxybenzoic Acid Magnesium Salt (2:1)

2.4 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₉MgNO₁₀
Molecular Weight	539.8 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	539.1641878 g/mol
Monoisotopic Mass	539.1641878 g/mol
Topological Polar Surface Area	201 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	5

4 Drug and Medication Information

4.1 Drug Indication

Choline magnesium trisalicylate is used to reduce pain and inflammation caused by conditions such as arthritis. This medication is also used to treat fever in adults.

5 Pharmacology and Biochemistry

5.1 Pharmacology

Trisalicylate-choline is a non-steroidal anti-inflammatory drug (NSAID) that contains a combination of choline salicylate and magnesium salicylate. Does not affect platelet aggregation.

5.2 MeSH Pharmacological Classification

Analgesics

Compounds capable of relieving pain without the loss of CONSCIOUSNESS. (See all compounds classified as Analgesics.)

Anti-Inflammatory Agents, Non-Steroidal

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)

5.3 Absorption, Distribution and Excretion

Route of Elimination

renal

5.4 Mechanism of Action

Inhibits prostaglandin synthesis; acts on the hypothalamus heat-regulating center to reduce fever; blocks the generation of pain impulses