HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 40127Erstellt: 27. Oktober 2026
5-[3-[(tert-Butyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2-chinolonmonohydrochlorid
carteolol HCl · endak · oc1085 · Tenalet · Cartrol · Carteol · Teoptic · Cartelo
https://huagongshe.com/de/chemical/40127
Identifikatoren & physikalische Daten
| CAS No. | 51781-21-6 |
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| Summenformel | C16H25ClN2O3 |
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| Durchschnittliche Molmasse | 328,83 g/mol |
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| Monoisotopische Masse | 328,1553704 g/mol |
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| SMILES | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2.Cl |
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| InChIKey | FYBXRCFPOTXTJF-UHFFFAOYSA-N |
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| PubChem CID | 40127 |
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| ChEMBL | CHEMBL1201002 |
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| EC No. | 257-415-7 |
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| DTXSID | DTXSID4045478 |
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| Lokaler Name | 5-[3-[(tert-Butyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2-chinolonmonohydrochlorid |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 70,6 |
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| H-Brücken-Donoren | 4 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 354 |
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| Human Drugs | Breast FeedingLactationMilk, HumanAdrenergic Beta-AntagonistsAntiglaucoma AgentsFDA approved drugs -> Active ingredient |
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| Schmelzpunkt | 278°C |
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| Lagerbedingungen | Refrigerator |
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| Löslichkeit | Soluble in water, sparingly soluble in methanol, slightly soluble in ethanol 96 per cent, practically insoluble in methylene chloride. |
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| Aggregatzustand | Solid |
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| Farbe | White to Off-White |
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| Merck | 14,1866 |
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| InChI | InChI=1S/C16H24N2O3.ClH/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)1H |
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| InChIKey | FYBXRCFPOTXTJF-UHFFFAOYSA-N |
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| SMILES | C12CCC(=O)NC=1C=CC=C2OCC(O)CNC(C)(C)C.Cl |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.WarningH302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 5 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 (83.3%) |
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| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
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| Zollcode | 2933790002 |
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| RTECS-Nr. | VC8282000 |
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| Toxizität | LD50 in male mice, rats (mg/kg): 810, 1380 orally54.5, 158 i.v.380, 400 i.p. (Lang) |
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![Molekülstruktur von 5-[3-[(tert-Butyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2-chinolonmonohydrochlorid](/img/chemical/40127.png)