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CHEBI:95076 - sodium 3-[[2-pyridin-3-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate

ChEBI IDCHEBI:95076
ChEBI Namesodium 3-[[2-pyridin-3-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate
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FormulaC22H22N5O2.Na
Net Charge0
Average Mass411.441
Monoisotopic Mass411.16712
SMILESO=C([O-])CCNc1cc(N2CCc3ccccc3CC2)nc(-c2cccnc2)n1.[Na+]
InChIInChI=1S/C22H23N5O2.Na/c28-21(29)7-11-24-19-14-20(26-22(25-19)18-6-3-10-23-15-18)27-12-8-16-4-1-2-5-17(16)9-13-27;/h1-6,10,14-15H,7-9,11-13H2,(H,28,29)(H,24,25,26);/q;+1/p-1
InChIKeyZBQSYIOCAWRFHG-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
sodium 3-[[2-pyridin-3-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate (CHEBI:95076) is a organonitrogen heterocyclic compound (CHEBI:38101)
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