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Home > Pyridines > 155172-12-6
155172-12-6 | Pyrazino[2,1-a]pyrido[2,3-c][2]benzazepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, 2-oxide
CAS No: 155172-12-6 Catalog No: AG001NP5 MDL No:
Product Description
Catalog Number:
AG001NP5
Chemical Name:
Pyrazino[2,1-a]pyrido[2,3-c][2]benzazepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, 2-oxide
CAS Number:
155172-12-6
Molecular Formula:
C17H19N3O
Molecular Weight:
281.3523
IUPAC Name:
5-methyl-5-oxido-2,19-diaza-5-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
InChI:
InChI=1S/C17H19N3O/c1-20(21)10-9-19-16(12-20)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)19/h2-8,16H,9-12H2,1H3
InChI Key:
GAFCUVMEBFTFQJ-UHFFFAOYSA-N
SMILES:
[O-][N+]1(C)CCN2C(C1)c1ccccc1Cc1c2nccc1
Properties
Complexity:
390
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.359g/mol
Monoisotopic Mass:
281.153g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Therapeutic drug monitoring of mirtazapine, desmethylmirtazapine, 8-hydroxymirtazapine, and mirtazapine-N-oxide by enantioselective HPLC with fluorescence detection. | Therapeutic drug monitoring 20061201 |
| Biotransformation of mirtazapine by Cunninghamella elegans. | Drug metabolism and disposition: the biological fate of chemicals 20021101 |
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