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Vandetanib hydrochloride

CAT: 0607-A3906-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-A3906-25Size:25 mg
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Description
VEGFR/EGFR inhibitor
CAS Number
524722-52-9
Product Name Alternative
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazolin-4-amine hydrochloride
Sequence
Zactima hydrochloride; ZD6474 hydrochloride;ZD-6474 hydrochloride; ZD 6474 hydrochloride
Field of Research
Tyrosine Kinase VEGFR
Purity
0.9992
Form
A solid
Solubility
≥51.2 mg/mL in DMSO with gentle warming; insoluble in H2O; insoluble in EtOH
Smiles
CN1CCC(COC2=C(OC)C=C(C(NC3=C(F)C=C(Br)C=C3)=NC=N4)C4=C2)CC1.Cl
Molecular Formula
C22H25BrClFN4O2
Molecular Weight
511.81
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Vandetanib hydrochloride
CAS Number524722-52-9
PubChem CID23133323
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;hydrochloride
Molecular FormulaC22H25BrClFN4O2
Molecular Weight511.8
Topological Polar Surface Area59.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity539
SMILES
CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC.Cl
InChI
InChI=1S/C22H24BrFN4O2.ClH/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);1H
InChIKey
KVBQCJXMSFJOFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vandetanib hydrochloride
CAS: 524722-52-9
CID: 23133323
Formula: C22H25BrClFN4O2
MW: 511.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass510.08334
Monoisotopic Mass510.08334
Topological Polar Surface Area59.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity539
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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