Basic Information | Post buying leads | Suppliers |
Name |
Xaliproden hydrochloride |
EINECS | N/A |
CAS No. | 90494-79-4 | Density | N/A |
PSA | 3.24000 | LogP | 6.93030 |
Solubility | N/A | Melting Point |
255-260° |
Formula | C24H22F3N.HCl | Boiling Point | 487.8 °C at 760 mmHg |
Molecular Weight | 417.89 | Flash Point | 248.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyridine,1,2,3,6-tetrahydro-1-[2-(2-naphthalenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-,hydrochloride (9CI);SR 57746A;Xaliproden hydrochloride; |
The cas register number of Xaliproden hydrochloride is 90494-79-4. It also can be called as Pyridine, 1,2,3,6-tetrahydro-1-(2-(2-naphthalenyl)ethyl)-4-(3-(trifluoromethyl)phenyl)-, hydrochloride and the Systematic name about this chemical is 1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine hydrochloride.
Physical properties about Xaliproden hydrochloride are: (1)ACD/LogP: 5.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 4.49; (5)ACD/BCF (pH 5.5): 19.19; (6)ACD/BCF (pH 7.4): 951.69; (7)ACD/KOC (pH 5.5): 54.51; (8)ACD/KOC (pH 7.4): 2703.16; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 3.24Å2; (12)Flash Point: 248.8 °C; (13)Enthalpy of Vaporization: 75.38 kJ/mol; (14)Boiling Point: 487.8 °C at 760 mmHg; (15)Vapour Pressure: 1.15E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.FC(F)(F)c4cccc(/C3=C/CN(CCc2cc1ccccc1cc2)CC3)c4
(2)InChI: InChI=1/C24H22F3N.ClH/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18;/h1-9,11,16-17H,10,12-15H2;1H
(3)InChIKey: WVHBEIJGAINUBW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C24H22F3N.ClH/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18;/h1-9,11,16-17H,10,12-15H2;1H
(5)Std. InChIKey: WVHBEIJGAINUBW-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | > 800mg/kg (800mg/kg) | United States Patent Document. Vol. #4521428, |