Clanobutin
Grundinformationen
- CAS
30544-61-7- Standard-SMILES
COc1ccc(N(CCCC(=O)O)C(=O)c2ccc(Cl)cc2)cc1- InChIKey
VUPBWNXFSDRWJE-UHFFFAOYSA-N- Summenformel
- C18H18ClNO4
- Durchschnittliche Molmasse
- 347,8 g/mol
- Monoisotopische Masse
- 347,0924357
Namen und Bezeichner
- Bevorzugter Name
- Clanobutin
- IUPAC
- 4-(N-(4-chlorobenzoyl)-4-methoxyanilino)butanoic acid
- Lokaler Name
- Clanobutin
- Englischer Name
- clanobutin
- Summenformel
- C18H18ClNO4
- Molmasse
- 347.79
Namen und Synonyme
Clanobutin30544-61-7ClanobutineBykaheparClanobutinaClanobutinum4-(p-Chloro-N-(p-methoxyphenyl)benzamido)butyric acidW6Y945055S4-((4-Chlorobenzoyl)(4-methoxyphenyl)amino)butanoic acidDTXSID10184628RefChem:1267684-(4-chloro-N-(4-methoxyphenyl)benzamido)butyric acid
Weitere Namen anzeigen
Clanobutin sodiuMB-6518Lidan butyric acidIntermediate Impurity 794-(N-(4-chlorobenzoyl)-4-methoxyanilino)butanoicaci4-[p-Chlorobenzoyl(p-methoxyphenyl)amino]butyric acid4-(4-Chloro-N-(4-methoxyphenyl)benzamido)butanoic acid4-[(4-Chlorobenzoyl)(4-methoxyphenyl)amino]butyric acid
DTXCID50107119250-232-3Clanobutin [INN]4-(N-(4-chlorobenzoyl)-4-methoxyanilino)butanoic acidButanoic acid, 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]-Clanobutin (INN)Butanoic acid, 4-((4-chlorobenzoyl)(4-methoxyphenyl)amino)-Clanobutine [INN-French]
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 415
Physikochemische Eigenschaften
- Schmelzpunkt
- 115 · 115-116°
- Siedepunkt
- 562.4 · 562.4±50.0 °C(Predicted)
- Dichte
- 1.1976 · 1.1976 (rough estimate)
- Brechungsindex
- 1.68 · 1.6800 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 5.04 · 5.04(at 25℃)
- Farbe
- White to Off-White
- Wasserlöslichkeit
- 44.17 mg/L · 44.17mg/L(37 ºC)
- InChI
- InChI=1S/C18H18ClNO4/c1-24-16-10-8-15(9-11-16)20(12-2-3-17(21)22)18(23)13-4-6-14(19)7-5-13/h4-11H,2-3,12H2,1H3,(H,21,22)
- InChIKey
- VUPBWNXFSDRWJE-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCCN(C(=O)C1=CC=C(Cl)C=C1)C1=CC=C(OC)C=C1
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Other Safety InformationIMAP assessments - Butanoic acid, 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]-: Environment tier I assessment；IMAP assessments - Butanoic acid, 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- Toxizität
- LD50 in rats (mg/kg): >2000 orally; 570 i.v. (Klemm)
Chemie und Industrie
Pharmakologische Informationen
ATC Code
QA - Alimentary tract and metabolism；QA16 - Other alimentary tract and metabolism products；QA16Q - Other alimentary tract and metabolism products for veterinary use；QA16QA - Drugs for prevention and/or treatment of acetonemia；QA16QA05 - Clanobutin
Anwendungen
VerwendenClanobutin inhibits gluconeogenesis in isolated perfused rat livers. it is a a choleretic and digestion-stimulating agent for animals.
Anbieter31 Anbieter
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
深圳市思美泉生物科技有限公司17683743113;18038040196 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
上海兴鲁化工科技有限公司02120970332 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
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