HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 176871Erstellt: 27. Oktober 2026
Erlotinib Hydrochloride
ERLOTINIB HCL · Tarceva · ErL · Erlotinib, Hydrochloride Salt · CS-491 · OSI 774 · RG-1415 · CP 358774
https://huagongshe.com/de/chemical/176871
Identifikatoren & physikalische Daten
| CAS No. | 183319-69-9 |
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| Summenformel | C22H24ClN3O4 |
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| Durchschnittliche Molmasse | 429,9 g/mol |
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| Monoisotopische Masse | 429,14553393 g/mol |
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| SMILES | C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cl |
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| InChIKey | GTTBEUCJPZQMDZ-UHFFFAOYSA-N |
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| PubChem CID | 176871 |
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| ChEMBL | CHEMBL1079742 |
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| EC No. | 620-491-0 |
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| DTXSID | DTXSID10171412 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 74,7 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 11 |
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| Schwere Atome | 30 |
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| Formalladung | 0 |
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| Komplexität | 525 |
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| Human Drugs | FDA approved drugs -> Active ingredientEMA approved medicines: Human medicine |
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| Schmelzpunkt | 223-225°C |
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| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
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| Löslichkeit | Soluble in DMSO (up to 18 mg/ml with warming). |
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| pKa (Säurekonstante) | pKa (25°): 5.42 |
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| Aggregatzustand | Yellow powder. |
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| Farbe | White or off-white |
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| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 3 months. |
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| InChI | InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) |
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| InChIKey | GTTBEUCJPZQMDZ-UHFFFAOYSA-N |
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| SMILES | C12C=C(OCCOC)C(OCCOC)=CC=1N=CN=C2NC1=CC=CC(=C1)C#C.Cl |
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| CAS Datenbank | 183319-69-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (91.7%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 12 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (91.7%) |
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| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Erlotinib hydrochloridevMost-DILI-concern8Warnings & precautionsDOI:10.1016/j.drudis.2016.02.015 |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 29335990 |
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| RTECS-Nr. | VA0971200 |
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| Sicherheitshinweise (S) | 24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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Anwendungen & Verwendung
Verwenden
Erlotinib hydrochloride (V), a quinazoline derived small molecule inhibitor of epidermal growth factor receptor (EDGFR) tyrosine kinase, was approved in November, 2004, for the treatment of advanced or metastatic non-smallcell lung cancer. It belongs to the same class as gefitinib,another quinazoline approved for treatment of advanced lung cancer, but with improved pharmacokinetic properties. The molecule was originated by Pfizer and development initiated in collaboration with OSI, which assumed full rights to the drug when Pfizer merged with Warner Lambert. Subsequently, Genentech/Roche went into licensing agreement with OSI to develop and market the drug in the US and Worldwide.
