Zonisamide

ZON · ci-912 · ad-810 · pd110843 · excegram · exceglan · Excegran · Zonegran

Identifikatoren & physikalische Daten

CAS No.	68291-97-4
Summenformel	C8H8N2O3S
Durchschnittliche Molmasse	212,23 g/mol
Monoisotopische Masse	212,0255633 g/mol
SMILES	NS(=O)(=O)Cc1noc2ccccc12
InChIKey	UBQNRHZMVUUOMG-UHFFFAOYSA-N
PubChem CID	5734
ChEMBL	CHEMBL750
ChEBI	CHEBI:10127
EC No.	614-395-8
DTXSID	DTXSID9046023

Chemische & physikalische Eigenschaften

XLogP	0,2
Polarare Oberfläche (TPSA)	94,6
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	2
Schwere Atome	14
Formalladung	0
Komplexität	298
LogP (Verteilungskoeffizient)	0.5log Kow = 0.36 /Estimated/
Geruch	Odorless
Geschmack	Tasteless
Color/Form	White needles from ethyl acetate
Löslichkeit	0.8Sparingly sol in chloroform, n-hexane. Sol in methanol, ethanol, ethyl acetate, and acetic acid.In water, 0.80 mg/L, temp not specified2.09e+00 g/L>31.8 [ug/mL] (The mean of the results at pH 7.4)H2O: >5 mg/mL, soluble
Schmelzpunkt	161-163 °C160-163 °C161 - 163 °C275°C dec.
Dampfdruck	3.3X10-6 mm Hg at 25 °C /Estimated/
Henry-Konstante	Henry's Law constant = 4.9X10-11 atm-cu m/mole at 25 °C /Estimated/
Physical Description	Solid
Dissociation Constants	10.2pKa = 10.2
Kovats Retention Index	2022.9
Other Experimental Properties	Hydroxyl radical reaction rate constant = 3.0X10-11 cu cm/molecule sec at 25 °C /Estimated/
Siedepunkt	223°C (rough estimate)
Dichte	1.4306 (rough estimate)
Brechungsindex	1.5690 (estimate)
Flammpunkt	9℃
Lagerbedingungen	Keep in dark place,Sealed in dry,2-8°C
Aggregatzustand	solid
pKa (Säurekonstante)	10.2(at 25℃)
Farbe	off-white
Merck	14,10192
Hauptanwendungen	pharmaceutical (small molecule)
InChI	1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
InChIKey	UBQNRHZMVUUOMG-UHFFFAOYSA-N
SMILES	[S](=O)(=O)(N)Cc1n[o]c2c1cccc2
CAS Datenbank	68291-97-4(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H361 (58.6%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 99 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
FDA-Anforderungen	The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl zonisamide, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
Hazard Classes and Categories	Acute Tox. 4 (100%)Repr. 2 (58.6%)
Entsorgungsverfahren	SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
Treatment	No specific antidotes for Zonisamide overdosage are available. Following a suspected recent overdose, emesis should be induced or gastric lavage performed with the usual precautions to protect the airway. General supportive care is indicated, including frequent monitoring of vital signs and close observation. (L1712)
Wechselwirkungen	Additive sedation effects may occur /when other CNS depression-producing medications are used with zonisamide/.Effects of Zonegran on the pharmacokinetics of other antiepilepsy drugs (AEDs): Zonisamide had no appreciable effect on the steady state plasma concentrations of phenytoin, carbamazepine, or valproate during clinical trials. Zonisamide did not inhibit mixed-function liver oxidase enzymes (cytochrome P450), as measured in human liver microsomal preparations, in vitro.

Anwendungen & Verwendung

Beschreibung

Zonisamide is a broad-spectrum antiepileptic effective in the treatment of refractory seizures. In cultured spinal cord neurons, zonisamide blocks the sustained firing of action potentials induced by depolarizing steps of current injected across the membrane.

Verwenden

Sulfonamide antiseizure agent; blocks repetitive firing of voltagesensitive sodium channels and reduces voltage-sensitive T-type calcium currents. Heterocyclic methanesulfonide with anticonvulsant pro perties. The compound is under investigation for potential therapeutic use as an antiepileptic drug. Anticonvulsant.