InChI=1S/C20H22N4O.C4H4O4/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21;5-3(6)1-2-4(7)8/h2-8,13H,9-12,15H2,1H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-

【InChIKey】

InChIKey=NAEUGRPISCANHO-BTJKTKAUSA-N

【SMILES】

Cc1cccc(c1)C(=O)NCN2CCN(CC2)c3ccccc3C#N.C(=C\C(=O)O)\C(=O)O

【MOL File】

PD 168077 MALEATE.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:1

H bond acceptor:5

XLogP3:2.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

【WGK Germany】

4CML File

PD 168077 MALEATE.cml

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190383-31-4 PD 168077 MALEATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】