2-(Acetyloxy)benzoic acid mixt. with aluminum hydroxide, 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanol hydrochloride, magensium carbonate (1:1) and 2,3,4,9-tetrahydro-2-methyl-9-phenyl-1H-indeno(2,1-c)pyridine (R-(R,R))-2,3-dihydroxybutanedioate (1:1)

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Basic information

CAS: 51004-30-9
Standard SMILES: CC(=O)Oc1ccccc1C(=O)O.CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12.CNC[C@H](O)c1cccc(O)c1.Cl.Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[O-].[Al+3].[Mg+2].[OH-].[OH-].[OH-]
InChIKey: NSBAPPNBBULPBT-BHQGKGKBSA-I
Molecular formula: C50H60AlClMgN6O20
Average molar mass: 1,151.8 g/mol
Monoisotopic mass: 1,150.3216711

Names & identifiers

Preferred name: 2-(Acetyloxy)benzoic acid mixt. with aluminum hydroxide, 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanol hydrochloride, magensium carbonate (1:1) and 2,3,4,9-tetrahydro-2-methyl-9-phenyl-1H-indeno(2,1-c)pyridine (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
IUPAC: 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

Names & synonyms

2-(Acetyloxy)benzoic acid mixt. with aluminum hydroxide, 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanol hydrochloride, magensium carbonate (1:1) and 2,3,4,9-tetrahydro-2-methyl-9-phenyl-1H-indeno(2,1-c)pyridine (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)51004-30-9Benzoic acid, 2-(acetyloxy)-, mixt. with aluminum hydroxide, 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanol hydrochloride, magensium carbonate (1:1) and 2,3,4,9-tetrahydro-2-methyl-9-phenyl-1H-indeno(2,1-c)pyridine (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)

Database identifiers

CAS: 51004-30-9
PubChem CID: 170952

Properties

Computed structural properties

Topological polar surface area: 359 Å²
Hydrogen bond donors: 12
Hydrogen bond acceptors: 23
Rotatable bonds: 10
Heavy atoms: 79
Formal charge: 0
Complexity: 1,180

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Compound notes

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