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71675-85-9

71675-85-9 structural image
Product Name: Amisulpride
Formula: C17H27N3O4S
Synonyms: 4-Amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide;Amisulpride;DAN-2163;Deniban
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 126-127
Solubility Insoluble
LogP 1.06
Dissociation Constants 9.37
Collision Cross Section 193.1 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 369.5 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 369.17222752 g/mol
Monoisotopic Mass 369.17222752 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 549
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

Amisulpride is a member of the class of benzamides resulting from the formal condensation of the carboxy group of 4-amino-5-(ethylsulfonyl)-2-methoxybenzoic acid with the primary amino group of 2-(aminomethyl)-1-ethylpyrrolidine. It is a potent, selective dopamine D2 and D3 receptor antagonist. It is an atypical antipsychotic/antischizophrenic agent with limited extrapyrimidal side effects. It has a role as a second generation antipsychotic, a xenobiotic and an environmental contaminant. It is a member of pyrrolidines, an aromatic amine, a sulfone, a member of benzamides and an aromatic amide.

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