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HCID 71486Erstellt: 26. Oktober 2026

(±)-4-[1-Hydroxy-2-(methylamino)ethyl]-1,2-phenylendipivalathydrochlorid

Progate · Diopine · Pivalephrine · Dipivefrine HCL · Dipivefri Impurity · D6-Dipivefrine HCl · hydrochloride,(+-)-este · dipivefrinhydrochloride

https://huagongshe.com/de/chemical/71486

Molekülstruktur von (±)-4-[1-Hydroxy-2-(methylamino)ethyl]-1,2-phenylendipivalathydrochlorid

Identifikatoren & physikalische Daten

CAS No.64019-93-8
SummenformelC19H30ClNO5
Durchschnittliche Molmasse387,9 g/mol
Monoisotopische Masse387,1812508 g/mol
SMILESCNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1.Cl
InChIKeyVKFAUCPBMAGVRG-UHFFFAOYSA-N
PubChem CID71486
ChEMBLCHEMBL1200833
ChEBICHEBI:4647
EC No.264-609-5
DTXSIDDTXSID2045494
Lokaler Name(±)-4-[1-Hydroxy-2-(methylamino)ethyl]-1,2-phenylendipivalathydrochlorid

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)84,9
H-Brücken-Donoren3
H-Brücken-Akzeptoren6
Frei drehbare Bindungen9
Schwere Atome26
Formalladung0
Komplexität463
Schmelzpunkt158-159°
LagerbedingungenHygroscopic, -20°C Freezer, Under inert atmosphere
LöslichkeitFreely soluble in water, very soluble in methanol, freely soluble in ethanol (96 per cent) and in methylene chloride.
AggregatzustandSolid
pKa (Säurekonstante)8.40(at 25℃)
FarbeWhite to Off-White
Hauptanwendungenpharmaceutical (small molecule)
InChIInChI=1S/C19H29NO5.ClH/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3
InChIKeyVKFAUCPBMAGVRG-UHFFFAOYSA-N
SMILESC1(OC(=O)C(C)(C)C)=CC(=CC=C1OC(=O)C(C)(C)C)C(O)CNC.Cl

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Wassergefährdungsklasse (WGK)WGK 3
UN-TransportnummerUN 2811 6.1 / PGIII
Zollcode2922504500
Lagerklasse6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
GefahrenklasseAcute Tox. 3 Oral

Anwendungen & Verwendung

Verwenden

Adrenergic (ophthalmic)