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Lasmiditan hydrochloride

CAT: 1410-M21603-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Lasmiditan hydrochloride is a novel centrally acting highly selective 5-HT (1F) receptor agonist (K1:2.21 μM) .
CAS Number
613677-28-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
413.82
Molecular Formula
C19H19ClF3N3O2
Notes
Research use only, not for human use.
Receptor
5-HT

Chemical Information

Benzamide, 2,4,6-trifluoro-N-(6-((1-methyl-4-piperidinyl)carbonyl)-2-pyridinyl)-, hydrochloride (1:1)
CAS Number613677-28-4
PubChem CID17980336
IUPAC Name2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide;hydrochloride
Molecular FormulaC19H19ClF3N3O2
Molecular Weight413.8
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity530
SMILES
CN1CCC(CC1)C(=O)C2=NC(=CC=C2)NC(=O)C3=C(C=C(C=C3F)F)F.Cl
InChI
InChI=1S/C19H18F3N3O2.ClH/c1-25-7-5-11(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;/h2-4,9-11H,5-8H2,1H3,(H,23,24,27);1H
InChIKey
YBTPRLDGGGYWIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzamide, 2,4,6-trifluoro-N-(6-((1-methyl-4-piperidinyl)carbonyl)-2-pyridinyl)-, hydrochloride (1:1)
CAS: 613677-28-4
CID: 17980336
Formula: C19H19ClF3N3O2
MW: 413.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass413.1117890
Monoisotopic Mass413.1117890
Topological Polar Surface Area62.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity530
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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