Apraclonidine

NC-14 · Aplonidine · Apraclonldine · APRACLONIDINE · 4-aminoclonidine · Apraclondine Hcl · Apraclonidine USP/EP/BP · Apraclonidine - API Standards

Identifikatoren & physikalische Daten

CAS No.	66711-21-5
Summenformel	C9H10Cl2N4
Durchschnittliche Molmasse	245,11 g/mol
Monoisotopische Masse	244,02825168 g/mol
SMILES	Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
InChIKey	IEJXVRYNEISIKR-UHFFFAOYSA-N
PubChem CID	2216
ChEMBL	CHEMBL647
ChEBI	CHEBI:2788
EC No.	636-293-2
DTXSID	DTXSID1048415

XLogP	1,3
Polarare Oberfläche (TPSA)	62,4
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	15
Formalladung	0
Komplexität	246
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
LogP (Verteilungskoeffizient)	1.4
Löslichkeit	4.09e-01 g/L45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 1.4 mg/mL Solutions may be stored for several days at 4°C
Human Drugs	Breast FeedingLactationAdrenergic alpha-2 Receptor AgonistsAntiglaucoma Agents
Physical Description	Solid
Schmelzpunkt	>230°
Siedepunkt	395.5±52.0 °C(Predicted)
Dichte	1.63±0.1 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,2-8°C
pKa (Säurekonstante)	9.26±0.50(Predicted)
Aggregatzustand	solid
Farbe	white
CAS Datenbank	66711-21-5(CAS DataBase Reference)

GHS-Einstufung	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (100%)
Effects During Pregnancy and Lactation	◉ Summary of Use during Lactation
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 2811 6.1/PG 1
R-Sätze (R)	23/24/25
Gefahrensymbole	T
Sicherheitshinweise (S)	22-36/37/39-45