Levodropropizine

Rapitux · LVDP · Danka · DF-526 · Levotuss · Levodropizine · l-Dropropizine · Levodropropizine

Identifikatoren & physikalische Daten

CAS No.	99291-25-5
Summenformel	C13H20N2O2
Durchschnittliche Molmasse	236,31 g/mol
Monoisotopische Masse	236,15247788 g/mol
SMILES	OC[C@@H](O)CN1CCN(c2ccccc2)CC1
InChIKey	PTVWPYVOOKLBCG-ZDUSSCGKSA-N
PubChem CID	65859
ChEMBL	CHEMBL1288810
ChEBI	CHEBI:82722
EC No.	640-087-8
DTXSID	DTXSID8023210

XLogP	0,6
Polarare Oberfläche (TPSA)	46,9
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	4
Schwere Atome	17
Formalladung	0
Komplexität	211
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Schmelzpunkt	98-100°C
Siedepunkt	412.7±34.0 °C(Predicted)
Dichte	1.168±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit	Slightly soluble in water, freely soluble in dilute acetic acid and in methanol, slightly soluble in ethanol (96 per cent).
pKa (Säurekonstante)	14.21±0.20(Predicted)
Aggregatzustand	Solid
Farbe	White to Almost white
Hauptanwendungen	pharmaceutical (small molecule)
InChI	InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m0/s1
InChIKey	PTVWPYVOOKLBCG-ZDUSSCGKSA-N
SMILES	C(O)[C@@H](O)CN1CCN(C2=CC=CC=C2)CC1
CAS Datenbank	99291-25-5(CAS DataBase Reference)

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	2933.59.5300
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 Oral