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Picamilon

C10H11N2NaO3CAS 62936-56-5230.20 g/mol

Open in Covalent MOL file
O−ONHONNa+
Carboxylic acid

Properties

Molecular formula
C10H11N2NaO3
Molar mass
230.20 g/mol
Exact mass
230.0667 Da
logP
0.87Crippen estimate
Polar surface area
82.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5

Identifiers

CAS number
62936-56-5
SMILES
[O-]C(=O)CCCNC(=O)c1cccnc1.[Na+]
InChIKey
PPOOTOLJZAFOKR-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O3.Na/c13-9(14)4-2-6-12-10(15)8-3-1-5-11-7-8;/h1,3,5,7H,2,4,6H2,(H,12,15)(H,13,14);

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

Names and synonyms

4 names
  • Butanoic acid, 4-[(3-pyridinylcarbonyl)amino]-, sodium salt (1:1)
  • Butanoic acid, 4-[(3-pyridinylcarbonyl)amino]-, monosodium salt
  • Nicotinoyl-GABA sodium salt
  • Sodium N-nicotinoyl-γ-aminobutyrate

Work with Picamilon

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

Sodium N-[8-(2-hydroxybenzoyl)amino]caprylate203787-91-150 % similar Sodium hippurate532-94-549 % similar Sodium nicotinate54-86-449 % similar Sodium phenylbutyrate1716-12-743 % similar Sodium P-aminohippurate94-16-640 % similar 3-Propionylpyridine1570-48-540 % similar Chromium nicotinate64452-96-640 % similar Balsalazide disodium hydrate150399-21-639 % similar

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

Elsewhere

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