5-(2,5-Dimethyl-4-(prop-1-en-1-yl)phenoxy)-2,2-dimethylpentanoic acid
Grundinformationen
- CAS
500904-61-0- Standard-SMILES
CC=Cc1cc(C)c(OCCCC(C)(C)C(=O)O)cc1C- InChIKey
ZWBXHPOXWIJOJR-UHFFFAOYSA-N- Summenformel
- C18H26O3
- Durchschnittliche Molmasse
- 290,4 g/mol
- Monoisotopische Masse
- 290,18819469
Namen und Bezeichner
- Bevorzugter Name
- 5-(2,5-Dimethyl-4-(prop-1-en-1-yl)phenoxy)-2,2-dimethylpentanoic acid
- IUPAC
- 5-(2,5-dimethyl-4-prop-1-enylphenoxy)-2,2-dimethylpentanoic acid
- Englischer Name
- Gemfibrozil Related Compound A ,(E,Z)-2,2-dimethyl-5-[2,5-dimethyl-4-(propene-1-yl)phenoxy]valeric acid
- Summenformel
- C18H26O3
- Molmasse
- 290.4
Namen und Synonyme
500904-61-0Gemfibrozil Impurity E5-(2,5-Dimethyl-4-(prop-1-en-1-yl)phenoxy)-2,2-dimethylpentanoic acidE4G86Y7QNUGemfibrozil impurity E [EP](E,Z)-5-(2,5-Dimethyl-4-(prop-1-en-1-yl)phenoxy)-2,2-dimethylpentanoic acidGEMFIBROZIL IMPURITY E (EP IMPURITY)GEMFIBROZIL IMPURITY E [EP IMPURITY]5-[2,5-DIMETHYL-4-(PROP-1-EN-1-YL)PHENOXY]-2,2-DIMETHYLPENTANOIC ACIDPentanoic acid, 5-(2,5-dimethyl-4-(1-propen-1-yl)phenoxy)-2,2-dimethyl-GEMFIBROZIL RELATED COMPOUND A (USP IMPURITY)GEMFIBROZIL RELATED COMPOUND A [USP IMPURITY]
Weitere Namen anzeigen
GeMfibrozil Related CoMpound AGemfibrozil USP Related Compound A5-[2,5-Dimethyl-4-(prop-1-enyl)phenGemfibrozil Impurity 5(Gemfibrozil EP Impurity E)5-[2,5-Dimethyl-4-(1-propen-1-yl)phenoxy]-2,2-dimethylpentanoic acid(E,Z)-2,2-diMethyl-5-[2,5-diMethyl-4-(propene-1-yl)phenoxy]valeric acidPentanoic acid, 5-[2,5-dimethyl-4-(1-propen-1-yl)phenoxy]-2,2-dimethyl-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 359
Physikochemische Eigenschaften
- Schmelzpunkt
- 105 · 105 - 106°C
- Siedepunkt
- 450 ℃ · 450℃
- Dichte
- 1.034 · 1.034
- Flammpunkt
- 157 ℃ · 157℃
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- pka
- 4.75 · 4.75±0.45(Predicted)
- Aggregatzustand
- solid
- Farbe
- White to Off-White
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C18H26O3/c1-6-8-15-11-14(3)16(12-13(15)2)21-10-7-9-18(4,5)17(19)20/h6,8,11-12H,7,9-10H2,1-5H3,(H,19,20)
- InChIKey
- ZWBXHPOXWIJOJR-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C(C)(C)CCCOC1=CC(C)=C(C=CC)C=C1C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2918992090
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden4-(1-Propenyl) Gemfibrozil is a derivative of Gemfibrozil (G305750), a serum lipid regulating agent used as an antihyperlipoproteinemic.
Anbieter48 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
绍兴恒创合益生物科技有限公司15158234258 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
上海骏腾医药科技有限公司15900602605 15900602605 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…