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Zosuquidar

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Name

Zosuquidar

EINECS N/A
CAS No. 167354-41-8 Density 1.369 g/cm3
PSA 48.83000 LogP 5.08720
Solubility N/A Melting Point N/A
Formula C32H31F2N3O2 Boiling Point 690.5°C at 760mmHg
Molecular Weight 527.614 Flash Point 371.4°C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 167354-41-8 ((2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol) Hazard Symbols Xi
Synonyms

Zosuquidar;

 

Zosuquidar Specification

The cas register number of Zosuquidar is 167354-41-8. It also can be called as Zosuquidar [INN] and the Systematic name about this chemical is UNII-AB5K82X98Y.

Physical properties about Zosuquidar are: (1)ACD/LogP: 2.93 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 1.186 ; (4)ACD/LogD (pH 7.4): 2.72 ; (5)ACD/BCF (pH 5.5): 1.787; (6)ACD/BCF (pH 7.4): 61.176; (7)ACD/KOC (pH 5.5): 16.832; (8)ACD/KOC (pH 7.4): 576.126; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 48.83Å2; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 147.528 cm3; (15)Molar Volume: 385.416 cm3; (16)Surface Tension: 65.61 dyne/cm; (17)Density: 1.369 g/cm3; (18)Flash Point: 371.401 °C; (19)Enthalpy of Vaporization: 106.278 kJ/mol; (20)Boiling Point: 690.499 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: c1ccc2c(c1)[C@H](c3ccccc3[C@H]4[C@@H]2C4(F)F)N5CCN(CC5)C[C@H](COc6cccc7c6cccn7)O
2.InChI: InChI=1/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31-/m1/s1 
3.InChIKey: IHOVFYSQUDPMCN-DBEBIPAYBM
4.Std. InChI: InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31-/m1/s1.

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