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Cabozantinib malate

CAT: 0862-GP4726-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0862-GP4726-1gSize:1 g
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CAS Number
1140909-48-3
Purity
98.00%
Molecular Formula
C32H30FN3O10
Molecular Weight
635.59
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

Cabozantinib S-malate

Cabozantinib malate is a malate salt that is the mono-(S)-malate salt of cabozantinib. A multi-tyrosine kinase inhibitor, used for the treatment of progressive, metastatic, medullary thyroid cancer. It has a role as an antineoplastic agent, a tyrosine kinase inhibitor and a prodrug. It contains a cabozantinib.

CAS Number1140909-48-3
PubChem CID25102846
IUPAC Name1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;(2S)-2-hydroxybutanedioic acid
Molecular FormulaC32H30FN3O10
Molecular Weight635.6
Topological Polar Surface Area194
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Heavy Atom Count46
Formal Charge0
Complexity924
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.C([C@@H](C(=O)O)O)C(=O)O
InChI
InChI=1S/C28H24FN3O5.C4H6O5/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;5-2(4(8)9)1-3(6)7/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34);2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1
InChIKey
HFCFMRYTXDINDK-WNQIDUERSA-N
Chemical Structure
2D Structure
2D structure of Cabozantinib S-malate
CAS: 1140909-48-3
CID: 25102846
Formula: C32H30FN3O10
MW: 635.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight635.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass635.19152232
Monoisotopic Mass635.19152232
Topological Polar Surface Area194 Ų
Heavy Atom Count46
Formal Charge0
Complexity924
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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