
API0232129
Tykerb
Tykerb (lapatinib) is a HER2 inhibitor used for breast cancer.
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CAS No.
388082-77-7
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Synonyms
Lapatinib Ditosylate; 388082-77-7; Tykerb
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CHEMBL ID
CHEMBL1201183
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Indications
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Molecule Type
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Compound CID
9941095
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Molecular Weight (g/mol)
925.5
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Molecular Formula
C43H42ClFN4O10S3
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InChI
InChI=1S/C29H26ClFN4O4S.2C7H8O3S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2*2-5H,1H3,(H,8,9,10)
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InChIKey
UWYXLGUQQFPJRI-UHFFFAOYSA-N
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SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
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IUPAC Name
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid
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Exact Mass (Da)
924.1735629
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Monoisotopic Mass (Da)
924.1735629
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