Zosuquidar trihydrochloride supplier

Name
ZOSUQUIDAR TRIHYSROCHLORIDE
EINECS
CAS No. 167465-36-3
Density
Solubility
Melting Point 172-176°C
Formula C₃₂H₃₁F₂N₃O₂^.3(HCl)
Boiling Point 690.5 °C at 760 mmHg
Molecular Weight 636.997
Flash Point 371.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Piperazineethanol,4-(1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl)-a-[(5-quinolinyloxy)methyl]-,trihydrochloride, [6(R)-(1aa,6a,10ba)]-;1-Piperazineethanol, 4-[(1aa,6a,10ba)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]-a-[(5-quinolinyloxy)methyl]-,trihydrochloride, (aR)- (9CI);LY 335979;RS 33295-198;Zosuquidar hydrochloride;Zosuquidartrihydrochloride;
PSA 48.83000
LogP 7.49320

Zosuquidar trihydrochloride Specification

This chemical is called Zosuquidar trihydrochloride, and it can also be named as LY335979. With the molecular formula of C₃₂H₃₁F₂N₃O₂^.3(HCl), its molecular weight is 636.99. The CAS registry number of this chemical is 167465-36-3. Additionally, its classification codes are P-Glycoprotein modulator; Treatment of multidrug resistance [modulator of P-gp resistance].

Other characteristics of the Zosuquidar trihydrochloride can be summarised as followings: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 37.83 Å²; (7)Flash Point: 371.4 °C; (8)Enthalpy of Vaporization: 106.28 kJ/mol; (9)Boiling Point: 690.5 °C at 760 mmHg; (10)Vapour Pressure: 5.11E-20 mmHg at 25°C; (11)Rotatable Bond Count: 6; (12)Exact Mass: 635.168467; (13)MonoIsotopic Mass: 635.168467; (14)Topological Polar Surface Area: 48.8; (15)Heavy Atom Count: 42; (16)Formal Charge: 0; (17)Complexity: 806; (18)Isotope Atom Count: 0; (19)Defined Atom StereoCenter Count 3; (20)Covalently-Bonded Unit Count: 4.

You can still convert the following datas into molecular structure:
1.SMILES: Cl.Cl.Cl.FC4(F)[C@@H]3c1ccccc1C(c2c(cccc2)[C@@H]34)N5CCN(CC5)C[C@@H](O)COc7c6cccnc6ccc7
2.InChI: InChI=1/C32H31F2N3O2.3ClH/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;3*1H/t21-,29-,30+,31?;;;/m1.../s1
3.InChIKey: ZPFVQKPWGDRLHL-ZLYBXYBFBS

Product Name

ZOSUQUIDAR TRIHYSROCHLORIDE

Zosuquidar trihydrochloride Specification

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