Molecule ID: 44139912

IUPAC Name: nan

Description: The molecule is the maleic acid salt of arterolane. It is an antimalarial drug used as a fixed combination with piperaquine. It has a role as an antiplasmodial drug and an antimalarial. It contains an arterolane(1+).

SMILES: CC(C)(N)CN=C(O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.O=C(O)/C=C\C(=O)O

SELFIES: [C][C][Branch1][C][C][Branch1][C][N][C][N][=C][Branch1][C][O][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][O][C][Branch1][Ring2][O][Ring1][#Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][Ring1][#Branch1].[O][=C][Branch1][C][O][/C][=C][\C][=Branch1][C][=O][O]

InChI: InChI=1S/C22H36N2O4.C4H4O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15;5-3(6)1-2-4(7)8/h14-18H,3-13,23H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-

Molecular Properties:
- Polar Surface Area: 157.0 Ų
- LogP: nan