chempirical

Flupirtine maleate

C19H21FN4O6CAS 75507-68-5420.40 g/mol

Open in Covalent MOL file
OOHNNFNHH2NOHOOOH
AlkeneAryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C19H21FN4O6
Molar mass
420.40 g/mol
Exact mass
420.1445 Da
Melting point
175.5–176 °C
logP
2.13Crippen estimate
Polar surface area
170.6 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
6

Identifiers

CAS number
75507-68-5
SMILES
CCOC(O)=Nc1ccc(=NCc2ccc(F)cc2)[nH]c1N.O=C(O)/C=CC(=O)O
InChIKey
DPYIXBFZUMCMJM-BTJKTKAUSA-N
InChI
InChI=1S/C15H17FN4O2.C4H4O4/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10;5-3(6)1-2-4(7)8/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1-

Weigh it out

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

Names and synonyms

5 names
  • Carbamic acid, N-[2-amino-6-[[(4-fluorophenyl)methyl]amino]-3-pyridinyl]-, ethyl ester, (2Z)-2-butenedioate (1:1)
  • Carbamic acid, [2-amino-6-[[(4-fluorophenyl)methyl]amino]-3-pyridinyl]-, ethyl ester, (Z)-2-butenedioate (1:1)
  • Carbamic acid, [2-amino-6-[[(4-fluorophenyl)methyl]amino]-3-pyridinyl]-, ethyl ester, (2Z)-2-butenedioate (1:1)
  • W 2964M
  • Efiret

Work with Flupirtine maleate

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

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

Elsewhere

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