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338992-00-0

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Basic Information
CAS No.: 338992-00-0
Name: VANDETANIB
Molecular Structure:
Molecular Structure of 338992-00-0 (VANDETANIB)
Formula: C22H24BrFN4O2
Molecular Weight: 0
Synonyms: (4-BROMO-2-FLUORO-PHENYL)-[6-METHOXY-7-(1-METHYL-PIPERIDIN-4-YLMETHOXY)-QUINAZOLIN-4-YL]-AMINE;
Density: 1.406g/cm3
Boiling Point: 538.22°C at 760 mmHg
Flash Point: 279.306°C
PSA: 59.51000
LogP: 5.01510
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Chemistry

IUPAC Name: N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine 
Following is the structure of Vandetanib (CAS NO.338992-00-0):
                           
Empirical Formula: C22H24BrFN4O2
Molecular Weight: 475.354
Index of Refraction: 1.628
Molar Refractivity: 120.03 cm3
Molar Volume: 337.9 cm3
Density: 1.406 g/cm3
Flash Point: 279.3 °C
Surface Tension: 53.1 dyne/cm
Enthalpy of Vaporization: 81.53 kJ/mol
Boiling Point: 538.2 °C at 760 mmHg
Vapour Pressure of Vandetanib (CAS NO.338992-00-0): 1.18E-11 mmHg at 25 °C
Canonical SMILES: CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC
InChI: InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
InChIKey: UHTHHESEBZOYNR-UHFFFAOYSA-N

Specification

 Vandetanib , its cas register number 338992-00-0. It also can be called N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4- ; Piperidinyl)methoxy)-4-quinazolinamine ; N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazolin-4-amine ; Vandetanib ; and Zactima . Its classification code is Antineoplastic.