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XL184 free base 5mg

CAT: 0628-A10996-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A10996-5Size:5 mg
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CAS Number
849217-68-1

Chemical Information

Cabozantinib

Cabozantinib is a dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer. It has a role as an antineoplastic agent and a tyrosine kinase inhibitor. It is a member of quinolines, an aromatic ether, a dicarboxylic acid diamide and an organofluorine compound.

CAS Number849217-68-1
PubChem CID25102847
IUPAC Name1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Molecular FormulaC28H24FN3O5
Molecular Weight501.5
XLogP5.4
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity795
SMILES
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F
InChI
InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
InChIKey
ONIQOQHATWINJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cabozantinib
CAS: 849217-68-1
CID: 25102847
Formula: C28H24FN3O5
MW: 501.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.5
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass501.16999904
Monoisotopic Mass501.16999904
Topological Polar Surface Area98.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity795
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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