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Chloraxepate (D-potassium)
SpectraBase Compound ID 4rPHx5bbM0c
InChI InChI=1S/C16H11ClN2O3.2K.H2O/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;;;/h1-8,14H,(H,18,20)(H,21,22);;;1H2/q;+1;+2;/p-2
InChIKey RMDLZCMILTYKMY-UHFFFAOYSA-L
Mol Weight 408.92 g/mol
Molecular Formula C16H11ClK2N2O4
Exact Mass 407.968148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FH6m61Ohif7
Name Chloraxepate (D-potassium)
Alternate Name(s) Clorazepate dipotassium Clorazepate dipotassium (dep) Hydroxypotassiumylium; potassiumylidene 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate
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Formula C16H11ClK2N2O4
InChI InChI=1S/C16H11ClN2O3.2K.H2O/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;;;/h1-8,14H,(H,18,20)(H,21,22);;;1H2/q;+1;+2;/p-2
InChIKey RMDLZCMILTYKMY-UHFFFAOYSA-L
Molecular Weight 408.924 g/mol
SMILES O[K+].N1c2c(C(=NC(C1=O)C([O-][K+])=O)c1ccccc1)cc(cc2)Cl
SPLASH splash10-0006-2290000000-1860a19c604bd4f3d0cf
Source of Spectrum JZ-1992-1196-0
Wiley ID 1372742