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Lasmiditan Hemisuccinate

CAT: 1596-AR-L08168-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L08168-01Size:10 Units
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CAS Number
439239-92-6
Synonyms
2,4,6-Trifluoro-N- (6- (1-methylpiperidine-4-carbonyl) pyridin-2-yl) benzamide hemisuccinate
Molecular Formula
C19H18F3N3O2 : 1/2 (C4H6O4)
Molecular Weight
377.37; 1/2 (118.09)
API Name
Lasmiditan

Chemical Information

Lasmiditan Succinate

See also: Lasmiditan (has active moiety) ... View More ...

CAS Number439239-92-6
PubChem CID46927777
IUPAC Namebutanedioic acid;bis(2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide)
Molecular FormulaC42H42F6N6O8
Molecular Weight872.8
Topological Polar Surface Area199
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count11
Heavy Atom Count62
Formal Charge0
Complexity623
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
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)
InChIKey
MSOIHUHNGPOCTH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lasmiditan Succinate
CAS: 439239-92-6
CID: 46927777
Formula: C42H42F6N6O8
MW: 872.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight872.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count11
Exact Mass872.29683129
Monoisotopic Mass872.29683129
Topological Polar Surface Area199 Ų
Heavy Atom Count62
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B3032-25Lasmiditan hemisuccinate
B1058-5Lasmiditan
T8413-01Lasmiditan succinate
TRC-L238385-50MGLasmiditan Oxopiperidine
CS-O-41128Lasmiditan D3
GTR19154242-01Lasmiditan HCl
NZA67728-01Lasmiditan hydrochloride
CS-EO-02465Lasmiditan-D9
HY-14861ALasmiditan (hydrochloride)
TRC-L910272-25MGLasmiditan-d3

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