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Lasmiditan

Lasmiditan

Synopsis, Chemistry

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Also known as: Lasmiditan hemisuccinate, 439239-92-6, Lasmiditan succinate [usan], Ly683974, W64ybj346b, 439239-92-6 (succinate)

Molecular Formula

C₄₂H₄₂F₆N₆O₈

Molecular Weight

872.8 g/mol

InChI Key

MSOIHUHNGPOCTH-UHFFFAOYSA-N

FDA UNII

W64YBJ346B

1 2D Structure

Lasmiditan

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

butanedioic acid;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl]benzamide

2.1.2 InChI

InChI=1S/2C19H18F3N3O2.C4H6O4/c2*1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22;5-3(6)1-2-4(7)8/h2*2-4,9-11H,5-8H2,1H3,(H,23,24,27);1-2H2,(H,5,6)(H,7,8)

2.1.3 InChI Key

MSOIHUHNGPOCTH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCC(CC1)C(=O)C2=NC(=CC=C2)NC(=O)C3=C(C=C(C=C3F)F)F.CN1CCC(CC1)C(=O)C2=NC(=CC=C2)NC(=O)C3=C(C=C(C=C3F)F)F.C(CC(=O)O)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

W64YBJ346B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,4,6-trifluoro-n-(6-((1-methylpiperidin-4-yl)carbonyl)pyridin-2yl)benzamide

2. Col-144

3. Lasmiditan

4. Lasmiditan Hydrochloride

5. Ly573144

6. Reyvow

2.3.2 Depositor-Supplied Synonyms

1. Lasmiditan Hemisuccinate

2. 439239-92-6

3. Lasmiditan Succinate [usan]

4. Ly683974

5. W64ybj346b

6. 439239-92-6 (succinate)

7. Reyvow

8. Ly-573144

9. Ly-683974

10. 2,4,6-trifluoro-n-(6-((1-methylpiperidine-4-yl)carbonyl)pyridin-2-yl)benzamide Hemisuccinate

11. 2,4,6-trifluoro-n-(6-((1-methylpiperidine-4-yl)carbonyl)pyridin-2-yl)benzamide Succinic (2:1)

12. Unii-w64ybj346b

13. Reyvow (tn)

14. Chembl3039526

15. Dtxsid10195991

16. Lasmiditan Succinate (jan/usan)

17. Lasmiditan Succinate [jan]

18. Ex-a1654

19. Lasmiditan Hemisuccinate [mi]

20. S6489

21. Lasmiditan Succinate [who-dd]

22. Ac-30917

23. Bl166745

24. Lasmiditan Succinate [orange Book]

25. D10424

26. Q27292373

27. Butanedioic Acid;2,4,6-trifluoro-n-[6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl]benzamide

2.4 Create Date

2010-11-01

3 Chemical and Physical Properties

Molecular Formula	C₄₂H₄₂F₆N₆O₈
Molecular Weight	872.8 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	11
Exact Mass	872.29683129 g/mol
Monoisotopic Mass	872.29683129 g/mol
Topological Polar Surface Area	199 Å²
Heavy Atom Count	62
Formal Charge	0
Complexity	623
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	3

4 Drug and Medication Information

4.1 Drug Indication

RAYVOW is indicated for the acute treatment of the headache phase of migraine attacks, with or without aura in adults.

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Serotonin Receptor Agonists

Endogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS. (See all compounds classified as Serotonin Receptor Agonists.)

5.2 ATC Code

N02CC08