Tesaglitazar

TESAGLITAZAR · Galid · AZ 242 · Galida · AR-H 039242 · Tesaglitizar · AR-H 039242XX · Tesaglitazar, 10 mM in DMSO

Identifikatoren & physikalische Daten

CAS No.	251565-85-2
Summenformel	C20H24O7S
Durchschnittliche Molmasse	408,5 g/mol
Monoisotopische Masse	408,12427427 g/mol
SMILES	CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
InChIKey	CXGTZJYQWSUFET-IBGZPJMESA-N
PubChem CID	208901
ChEMBL	CHEMBL282686
EC No.	675-830-5
DTXSID	DTXSID4048773

XLogP	3,5
Polarare Oberfläche (TPSA)	108
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	11
Schwere Atome	28
Formalladung	0
Komplexität	556
Schmelzpunkt	83-85°C
Siedepunkt	611℃
Dichte	1.278
Flammpunkt	324℃
Lagerbedingungen	2-8°C
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	3.62±0.10(Predicted)
Farbe	White
Merck	14,9177
InChI	1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKey	CXGTZJYQWSUFET-IBGZPJMESA-N
SMILES	O=S(OC1=CC=C(CCOC2=CC=C(C[C@H](OCC)C(O)=O)C=C2)C=C1)(C)=O

GHS-Einstufung	WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 3 reports by companies from 3 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.
Hazard Classes and Categories	Acute Tox. 4 (33.3%)Skin Irrit. 2 (66.7%)Eye Irrit. 2 (66.7%)STOT SE 3 (33.3%)
Wassergefährdungsklasse (WGK)	WGK 3
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 Oral

Dual -acting peroxisome proliferator-activated receptor (PPAR) a and agonist. Antidiabetic