Home Pyridines 102335-57-9
102335-57-9,MFCD08063674
Catalog No.:AA000751
102335-57-9 | Pyrazino[2,1-a]pyrido[2,3-c][2]benzazepin-8-ol, 1,2,3,4,10,14b-hexahydro-2-methyl-
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Technical Information
Catalog Number:
AA000751
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
MDL Number:
MFCD08063674
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
Computed 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  

Synonyms
 
2-methyl-1,2,3,4,10,14b-hexahydropyrazino(2,1-a)pyrido(2,3-c)(2)benzazepin-8-ol 
8-hydroxymirtazapine 
CTK8E8469 
DTXSID60467650 
AKOS015914590 
1,2,3,4,10,14b-Hexahydro-2-methylpyrazino(2,1-a)pyrido(2,3-C)(2)benzoazepine-8-ol 
2-Methyl-1,2,3,4,10,14b-hexahydropyrazino(2,1-a)pyrido(2,3-C)(2)benzazepin-8-ol 
RT-010913 
FT-0669869 
J-000673 
I14-41532 
UNII-LZE1T7L9SL 
8-Hydroxy Mirtazapine 
LZE1T7L9SL 
CS-T-56245 
CID11500131 
CID 11500131 
8-Hydroxymirtazapine 
102335-57-9 
8-Hydroxy-6-azamianserin 
Pyrazino(2,1-a)pyrido(2,3-C)(2)benzazepin-8-ol, 1,2,3,4,10,14b-hexahydro-2-methyl- 
Pyrazino[2,1-a]pyrido[2,3-c][2]benzazepin-8-ol, 1,2,3,4,10,14b-hexahydro-2-methyl- 
1,2,3,4,10,14b-Hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c][2]benzazepin-8-ol 
J2.243.321K 
Literature

Title: Pharmacokinetics of mirtazapine and its main metabolites in Beagle dogs: a pilot study.

Journal: Veterinary journal (London, England : 1997) 20120501

Title: Enantioselective analysis of mirtazapine, demethylmirtazapine and 8-hydroxy mirtazapine in human urine after solid-phase microextraction.

Journal: Journal of separation science 20100201

Title: Steady-state concentrations of mirtazapine, N-desmethylmirtazapine, 8-hydroxymirtazapine and their enantiomers in relation to cytochrome P450 2D6 genotype, age and smoking behaviour.

Journal: Clinical pharmacokinetics 20090101

Title: Capillary electrophoretic chiral determination of mirtazapine and its main metabolites in human urine after enzymatic hydrolysis.

Journal: Electrophoresis 20080901

Title: Enantioselective separation of the novel antidepressant mirtazapine and its main metabolites by CEC.

Journal: Electrophoresis 20070801

Title: Therapeutic drug monitoring of mirtazapine, desmethylmirtazapine, 8-hydroxymirtazapine, and mirtazapine-N-oxide by enantioselective HPLC with fluorescence detection.

Journal: Therapeutic drug monitoring 20061201

Title: Mirtazapine enantiomers in blood and cerebrospinal fluid.

Journal: Neuropsychobiology 20060101

Title: Chirality in the new generation of antidepressants: stereoselective analysis of the enantiomers of mirtazapine, N-demethylmirtazapine, and 8-hydroxymirtazapine by LC-MS.

Journal: Therapeutic drug monitoring 20040801

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