HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(±)-4-(2-Amino-1-hydroxyethyl)brenzcatechin
DL-NOREPINEPHRINE · 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)- · (S)-2,3-dihydroxy-5-(1-hydroxy-2-(methylamino)ethyl)benzenesulfonic acid · NSC 294898 · DL-ARTERENOL · DL-NORADRENALINE · (+)-Norepinephrin · (±)-Noradrenaline
Identifikatoren & physikalische Daten
| CAS No. | 138-65-8 |
|---|---|
| Summenformel | C8H11NO3 |
| Durchschnittliche Molmasse | 169,18 g/mol |
| Monoisotopische Masse | 169,07389321 g/mol |
| SMILES | NCC(O)c1ccc(O)c(O)c1 |
| InChIKey | SFLSHLFXELFNJZ-UHFFFAOYSA-N |
| PubChem CID | 951 |
| ChEMBL | CHEMBL432 |
| ChEBI | CHEBI:33569 |
| EC No. | 205-337-9 |
| DTXSID | DTXSID20858964 |
| Lokaler Name | (±)-4-(2-Amino-1-hydroxyethyl)brenzcatechin |
Chemische & physikalische Eigenschaften
| XLogP | -1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 86,7 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 142 |
| Arzneimittel | Pharmaceuticals |
| Schmelzpunkt | ~190 °C (dec.) |
| Siedepunkt | 298.46°C (rough estimate) |
| Dichte | 1.2435 (rough estimate) |
| Brechungsindex | 1.5100 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly, Sonicated), Methanol (Slightly, Heated, Sonicated) |
| pKa (Säurekonstante) | 9.57±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Pale Beige to Dark Brown |
| Merck | 6695 |
| Stabilität | Hygroscopic |
| InChI | InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 |
| InChIKey | SFLSHLFXELFNJZ-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(C(O)CN)C=C1O |
| CAS Datenbank | 138-65-8 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (13.3%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P301+P317, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 09-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22124 |
| Hazard Classes and Categories | Acute Tox. 3 (13.3%) |
| F | 8-10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 |
| RTECS-Nr. | DN6300000 |
| R-Sätze (R) | 28-41-26/27/28 |
| Toxizität | LD50 ivn-rat: 130 mg/kg JPETAB 95,502,49 |
| Gefahrensymbole | T+ |
| Sicherheitshinweise (S) | 28-36/37/39-45-36/37 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
(±)-Noradrenaline is the neurotransmitter at most sympathetic neuroeffector junctions and has pharmacologic effects on both α1 and β1 adrenoceptors.