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85650-52-8

85650-52-8 structural image
Product Name: Mirtazapine
Formula: C17H19N3
Synonyms: 1,2,3,4,10,14b-Hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c][2]benzazepine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point 432.4
Melting Point 114-116 °C
Solubility slightly soluble in water
LogP 2.9
Dissociation Constants 7.3
Collision Cross Section 161 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Kovats Retention Index 2323.4

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H336:Specific target organ toxicity,single exposure; Narcotic effects
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 265.35 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 265.157897619 g/mol
Monoisotopic Mass 265.157897619 g/mol
Topological Polar Surface Area 19.4 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 345
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Mirtazapine is a benzazepine and a tetracyclic antidepressant. It has a role as an alpha-adrenergic antagonist, a serotonergic antagonist, a histamine antagonist, an anxiolytic drug, a H1-receptor antagonist and a oneirogen.

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