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Afatinib dimaleate 1g

CAT: 0628-A14985-1000Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0628-A14985-1000Size:1000 mg
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CAS Number
850140-73-7

Chemical Information

Afatinib Dimaleate

Afatinib dimaleate is a maleate salt obtained by combining afatinib with two molar equivalents of maleic acid. Used for the first-line treatment of patients with metastatic non-small cell lung cancer. It has a role as an antineoplastic agent and a tyrosine kinase inhibitor. It contains an afatinib.

CAS Number850140-73-7
PubChem CID15606394
IUPAC Namebis((Z)-but-2-enedioic acid);(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
Molecular FormulaC32H33ClFN5O11
Molecular Weight718.1
Topological Polar Surface Area238
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Heavy Atom Count50
Formal Charge0
Complexity820
SMILES
CN(C/C=C/C(=O)NC1=C(C=C2N=CN=C(C2=C1)NC3=CC(=C(C=C3)F)Cl)O[C@@H]4COCC4)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C24H25ClFN5O3.2C4H4O4/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15;2*5-3(6)1-2-4(7)8/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29);2*1-2H,(H,5,6)(H,7,8)/b4-3+;2*2-1-/t16-;;/m0../s1
InChIKey
USNRYVNRPYXCSP-JUGPPOIOSA-N
Chemical Structure
2D Structure
2D structure of Afatinib Dimaleate
CAS: 850140-73-7
CID: 15606394
Formula: C32H33ClFN5O11
MW: 718.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight718.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Exact Mass717.1849127
Monoisotopic Mass717.1849127
Topological Polar Surface Area238 Ų
Heavy Atom Count50
Formal Charge0
Complexity820
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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