Otenabant

The CAS register number of Otenabant is 686344-29-6. It also can be called as 1-[9-(4-Chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl]-4-ethylaminopiperidine-4-carboxamide and the IUPAC name about this chemical is 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide. The molecular formula about this chemical is C₂₅H₂₅Cl₂N₇O and the molecular weight is 510.42. Classification code about this chemical is Treatment of obesity. This chemical is a drug which acts as a potent and highly selective CB1 antagonist. It was developed by Pfizer for the treatment of obesity.

Physical properties about Otenabant are: (1)ACD/LogP: 4.77; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 13; (6)ACD/BCF (pH 7.4): 257; (7)ACD/KOC (pH 5.5): 88; (8)ACD/KOC (pH 7.4): 1788; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 101.96Ų; (13)Index of Refraction: 1.716; (14)Molar Refractivity: 137.464 cm³; (15)Molar Volume: 349.586 cm³; (16)Polarizability: 54.495x10^-24cm³; (17)Surface Tension: 59.475 dyne/cm; (18)Enthalpy of Vaporization: 110.41 kJ/mol; (19)Boiling Point: 757.891 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1c4nc2c(ncnc2n4c3ccc(Cl)cc3)N5CCC(C(=O)N)(NCC)CC5
(2)InChI: InChI=1/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)
(3)InChIKey: UNAZAADNBYXMIV-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)
(5)Std. InChIKey: UNAZAADNBYXMIV-UHFFFAOYSA-N