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DESMETHYL MIRTAZAPINE

DESMETHYL MIRTAZAPINE structure

CAS No:
61337-68-6
Formula:
C16H17N3
Chemical Name:
DESMETHYL MIRTAZAPINE
Synonyms:
N-Desmethylmirtazapine solution;N-Demethylmirtazapine;Mirtazapine N-desmethyl;DESMETHYL MIRTAZAPINE;1,2,3,4,10,14b-Hexahydro-pyrazino[2,1-a]pyrido[2,3-c][2]benzazepine;1,2,3,4,10,14b-Hexahydro-pyrazino[2,1-a]pyrido[2,3-c][2]benzazepineNormirtazepin;1,2,3,4,10,14b-Hexahydro-pyrazino[2,1-α]pyrido[2,3-c][2]benzazepine Normirtazepin;Desmethyl MirtazapineDiscontinued See: D292074
Categories:
Analytical Chemistry > Standard

Description

White Solid

N-demethylmirtazapine is a benzazepine metabolite resulting from demethylation of the antidpressant, mirtazapine. It has a role as a human xenobiotic metabolite, an alpha-adrenergic antagonist, an anxiolytic drug, a H1-receptor antagonist, a histamine antagonist and a serotonergic antagonist. It is a tetracyclic antidepressant and a benzazepine.

DESMETHYL MIRTAZAPINE Basic Attributes

Molecular Weight：

251.32628

Exact Mass：

251.142

EC Number：

200-835-2

HScode：

2933599550

Characteristics

PSA：

28.2

XLogP3：

2.8

Density：

1.24±0.1 g/cm3(Predicted)

Melting Point：

>195°C (dec.)

Flash Point：

2℃

Storage Conditions：

-20°C

Collision Cross Section：

156.9 Å² [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

Safety Information

Transport codes：

UN 1648 3 / PGII

wgk germany：

hazard class code：

11-20/21/22-36

safety instructions：

16-36/37

Marks：

F,Xn

Drug Information

Metabolism/Metabolites：

N-Desmethylmirtazapine is a known human metabolite of Mirtazapine.

MeSH Entry Terms：

demethylmirtazapine

DESMETHYL MIRTAZAPINE Use and Manufacturing

A metabolite of Mirtazapine, α2-adrenergic blocker.

Computed Properties

Molecular Weight:251.33
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:251.142247555
Monoisotopic Mass:251.142247555
Topological Polar Surface Area:28.2
Heavy Atom Count:19
Complexity:319
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes