aluminum; magnesium; 2-acetyloxybenzoic acid; (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 3-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]phenol; 2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine; 1,3,7-trimethylpurine-2,6-dione; carbonate; trihydroxide; hydrochloride

Systemtic Name: aluminum; magnesium; 2-acetyloxybenzoic acid; (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 3-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]phenol; 2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine; 1,3,7-trimethylpurine-2,6-dione; carbonate; trihydroxide; hydrochloride Openeye Name: aluminum; magnesium; 2-acetoxybenzoic acid; (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol; 2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine; 1,3,7-trimethylpurine-2,6-dione; carbonate; trihydroxide; hydrochloride CAS Name: aluminum; magnesium; 2-acetyloxybenzoic acid; (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol; 2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine; 1,3,7-trimethylpurine-2,6-dione; carbonate; trihydroxide; hydrochloride IUPAC Name: aluminum; magnesium; 2-acetyloxybenzoic acid; (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol; 2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine; 1,3,7-trimethylpurine-2,6-dione; carbonate; trihydroxide; hydrochloride Traditional Name: aluminum; magnesium; 2-acetoxybenzoic acid; caffeine; (2R,3R)-2,3-dihydroxysuccinic acid; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol; 2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine; carbonate; trihydroxide; hydrochloride Formula: C50H60AlClMgN6O20 MolecularWeight: 1151.779138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)O.CNCC(C1=CC(=CC=C1)O)O.CN1CCC2=C(C1)C(C3=CC=CC=C23)C4=CC=CC=C4.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(C(=O)O)O)(C(=O)O)O.C(=O)([O-])[O-].[OH-].[OH-].[OH-].[Mg+2].[Al+3].Cl

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)O.CNC[C@@H](C1=CC(=CC=C1)O)O.CN1CCC2=C(C1)C(C3=CC=CC=C23)C4=CC=CC=C4.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.C(=O)([O-])[O-].[OH-].[OH-].[OH-].[Mg+2].[Al+3].Cl

InChI

InChI=1S/C19H19N.C9H13NO2.C9H8O4.C8H10N4O2.C4H6O6.CH2O3.Al.ClH.Mg.3H2O/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14;1-10-6-9(12)7-3-2-4-8(11)5-7;1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;5-1(3(7)8)2(6)4(9)10;2-1(3)4;;;;;;/h2-10,19H,11-13H2,1H3;2-5,9-12H,6H2,1H3;2-5H,1H3,(H,11,12);4H,1-3H3;1-2,5-6H,(H,7,8)(H,9,10);(H2,2,3,4);;1H;;3*1H2/q;;;;;;+3;;+2;;;/p-5/t;9-;;;1-,2-;;;;;;;/m.0..1......./s1