Name: Name:Pyrazino[2,1-a]pyrido[2,3-c][2]benzazepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, 2-oxide
Brand: Angene
SKU: AG001NP5
Rating: 90 (10 reviews)

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 Number:

AG001NP5

Molecular Formula:

C17H19N3O

Molecular Weight:

281.3523

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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

MDL Number:

MFCD18252394

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.153g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.359g/mol

Monoisotopic Mass:

281.153g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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