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Home > Pyridines > 102335-57-9
102335-57-9 | Pyrazino[2,1-a]pyrido[2,3-c][2]benzazepin-8-ol, 1,2,3,4,10,14b-hexahydro-2-methyl-
CAS No: 102335-57-9 Catalog No: AG00077T MDL No:
Product Description
Catalog Number:
AG00077T
Chemical Name:
Pyrazino[2,1-a]pyrido[2,3-c][2]benzazepin-8-ol, 1,2,3,4,10,14b-hexahydro-2-methyl-
CAS Number:
102335-57-9
Molecular Formula:
C17H19N3O
Molecular Weight:
281.3523
IUPAC Name:
5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol
InChI:
InChI=1S/C17H19N3O/c1-19-6-7-20-16(11-19)15-5-3-2-4-12(15)8-13-9-14(21)10-18-17(13)20/h2-5,9-10,16,21H,6-8,11H2,1H3
InChI Key:
DAWYIZBOUQIVNX-UHFFFAOYSA-N
SMILES:
CN1CCN2C(C1)c1ccccc1Cc1c2ncc(c1)O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.153g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.359g/mol
Monoisotopic Mass:
281.153g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
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| Steady-state concentrations of mirtazapine, N-desmethylmirtazapine, 8-hydroxymirtazapine and their enantiomers in relation to cytochrome P450 2D6 genotype, age and smoking behaviour. | Clinical pharmacokinetics 20090101 |
| Capillary electrophoretic chiral determination of mirtazapine and its main metabolites in human urine after enzymatic hydrolysis. | Electrophoresis 20080901 |
| Enantioselective separation of the novel antidepressant mirtazapine and its main metabolites by CEC. | Electrophoresis 20070801 |
| Therapeutic drug monitoring of mirtazapine, desmethylmirtazapine, 8-hydroxymirtazapine, and mirtazapine-N-oxide by enantioselective HPLC with fluorescence detection. | Therapeutic drug monitoring 20061201 |
| Mirtazapine enantiomers in blood and cerebrospinal fluid. | Neuropsychobiology 20060101 |
| Chirality in the new generation of antidepressants: stereoselective analysis of the enantiomers of mirtazapine, N-demethylmirtazapine, and 8-hydroxymirtazapine by LC-MS. | Therapeutic drug monitoring 20040801 |
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