Grundinformationen
- Standard-SMILES
CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O- InChIKey
KPSRODZRAIWAKH-UHFFFAOYSA-N- Summenformel
- C13H14Cl2O3
- Durchschnittliche Molmasse
- 289,15 g/mol
- Monoisotopische Masse
- 288,03199967
Überblick
Ciprofibrate is a monocarboxylic acid, an organochlorine compound and a member of cyclopropanes. It has a role as an antilipemic drug.
Namen und Bezeichner
- Bevorzugter Name
- Ciprofibrate
- IUPAC
- 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid
- Lokaler Name
- Ciprofibrat
- Englischer Name
- Ciprofibrate
- Summenformel
- C13H14Cl2O3
- Molmasse
- 289.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
52214-84-3- PubChem CID
- 2763
- DTXSID
DTXSID8020331- ChEMBL
CHEMBL557555- ChEBI
CHEBI:50867- UNII
- F8252JGO9S
- EC Number
- 257-744-6
- Nikkaji
- J10.383G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 333
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 114 · 114-116°
- Siedepunkt
- 401.74 °C · 401.74°C (rough estimate)
- Dichte
- 1.2576 · 1.2576 (rough estimate)
- Brechungsindex
- 1.5209 · 1.5209 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Practically insoluble in water, freely soluble in anhydrous ethanol, soluble in toluene.
- pka
- 3.31 · 3.31±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Pale Beige
- Merck
- 14 · 14,2313
- Major Application
- pharmaceuticalpharmaceutical small molecule
- InChI
- InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
- InChIKey
- KPSRODZRAIWAKH-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C(OC1=CC=C(C2CC2(Cl)Cl)C=C1)(C)C
- CAS Datenbank
- 52214 · 52214-84-3(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Propanoic acid, 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methyl- (52214-84-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H350 (95%): May cause cancer [Danger Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Toxikologische Informationen
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
ciprofibrate
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29189900
- RTECS-Nr.
- UF0880000
- risk_code
- 45
- hazard_code
- T
- safety_code
- 53-22-36/37/39-45
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Carc. 1B
Chemie und Industrie
Pharmakologische Informationen
ATC Code
C10AB08
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
A class of nongenotoxic CARCINOGENS that induce the production of hepatic PEROXISOMES and induce hepatic neoplasms after long-term administration.
Anwendungen
BeschreibungCiprofibrate is a potent, long-acting hypolipidemic agent related to clofibrate, bezafibrate and fenofibrate. It is effective in types IIa, IIb, IIX and IV hyperlipoproteinemias, and produces a beneficial elevation of the anti-atherogenic HDL.
VerwendenCiprofibrate is a hypolipemic agent, related structurally to Clofibrate (C586910). Ciprofibrate is used as an antilipemic.
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