N-(2-(tert-Butyl)-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Grundinformationen
- CAS
1246213-23-9- Standard-SMILES
CC(C)(C)c1cc(C(C)(C)CO)c(O)cc1NC(=O)c1c[nH]c2ccccc2c1=O- InChIKey
HFNOECBPRSJRQD-UHFFFAOYSA-N- Summenformel
- C24H28N2O4
- Durchschnittliche Molmasse
- 408,5 g/mol
- Monoisotopische Masse
- 408,20490738
Namen und Bezeichner
- Bevorzugter Name
- N-(2-(tert-Butyl)-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
- IUPAC
- N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
- Englischer Name
- 3-QuinolinecarboxaMide, N-[2-(1,1-diMethylethyl)-5-hydroxy-4-(2-hydroxy-1,1-diMethylethyl)phenyl]-1,4-dihydro-4-oxo-
- Summenformel
- C24H28N2O4
- Molmasse
- 408.49
Namen und Synonyme
N-(2-(tert-Butyl)-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamideRefChem:824856813-170-31246213-23-9Hydroxymethyl IvacaftorHydroxymethyl-ivacaftorIvacaftor (m1)6F3NVS9Y38VRT-8370183-Quinolinecarboxamide, N-(2-(1,1-dimethylethyl)-5-hydroxy-4-(2-hydroxy-1,1-dimethylethyl)phenyl)-1,4-dihydro-4-oxo-N-(2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamideN-[2-(1,1-Dimethylethyl)-5-hydroxy-4-(2-hydroxy-1,1-dimethylethyl)phenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide
Weitere Namen anzeigen
Ivacaftor Impurity 2IvacaftorImpurity2-d6Ivacaftor Hydroxy MetaboliteIvacaftor Hydroxymethyl Impurity3-QuinolinecarboxaMide, N-[2-(1,1-diMethylethyl)-5-hydroxy-4-(2-hydroxy-1,1-diMethylethyl)phenyl]-1,4-dihydro-4-oxo-Hydroxymethyl IvacaftorQ: What is Hydroxymethyl Ivacaftor Q: What is the CAS Number of Hydroxymethyl Ivacaftor Q: What is the storage condition of Hydroxymethyl Ivacaftor Q: What are the applications of Hydroxymethyl Ivacaftor
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,4
- Polarare Oberfläche (TPSA)
- 98,7 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 694
Physikochemische Eigenschaften
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- Pale Yellow to Light Green
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hs_code
- 2933499090
Chemie und Industrie
Anwendungen
VerwendenHydroxymethyl Ivacaftor is an impurity of Ivacaftor (I940600); a drug used in the treatment of cystic fibrosis.
Anbieter15 Anbieter
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
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南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
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上海偕腾生物科技有限公司+86-021-58975553 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
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