chempirical

Lasmiditan succinate

C23H24F3N3O6CAS 439239-92-6495.46 g/mol

Open in Covalent MOL file
NOHNOFFFNOHOOOH
Aryl halideCarboxylic acidKetoneTertiary amine

Properties

Molecular formula
C23H24F3N3O6
Molar mass
495.46 g/mol
Exact mass
495.1617 Da
logP
3.60Crippen estimate
Polar surface area
140.4 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
7

Identifiers

CAS number
439239-92-6
SMILES
CN1CCC(C(=O)c2cccc(N=C(O)c3c(F)cc(F)cc3F)n2)CC1.O=C(O)CCC(=O)O
InChIKey
BSBJDZNFPHVNFG-UHFFFAOYSA-N
InChI
InChI=1S/C19H18F3N3O2.C4H6O4/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;5-3(6)1-2-4(7)8/h2-4,9-11H,5-8H2,1H3,(H,23,24,27);1-2H2,(H,5,6)(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Butanedioic acid, compd. with 2,4,6-trifluoro-N-[6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl]benzamide (1:2)
  • LY 683974
  • Reyvow
  • LY 573144 hemisuccinate

Work with Lasmiditan succinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lasmiditan439239-90-490 % similar Loratadine ketone130642-50-136 % similar 3-(2',4'-Difluorobenzoyl)propionic acid110931-77-634 % similar 3-(3-Fluorophenyl)propionic acid458-45-732 % similar 2,4,6-Trifluorobenzeneacetic acid209991-63-931 % similar 3-Fluorophenylacetic acid331-25-931 % similar 2,4,6-Trifluorobenzoic acid28314-80-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook