Afatinib dimaleate
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Afatinib dimaleate
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CAS No:
850140-73-7
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Formula:
C24H25ClFN5O3.2C4H4O4
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Chemical Name:
Afatinib dimaleate
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Synonyms:
2-Butenamide,N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-,(2E)-,(2Z)-2-butenedioate (1:2);Afatinib dimaleate;BIBW 2992MA2;2047333-62-8
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CAS No:
Description
Afatinib dimaleate is an irreversible EGFR family inhibitor with IC50s of 0.5 nM, 0.4 nM, 10 nM and 14 nM for EGFRwt, EGFRL858R, EGFRL858R/T790M and HER2, respectively.
Safety Information
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P263, P264, P270, P273, P280, P281, P301+P312, P305+P351+P338, P308+P313, P314, P330, P337+P313, P391, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:602.0
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:601.1739541
Monoisotopic Mass:601.1739541
Topological Polar Surface Area:163
Heavy Atom Count:42
Complexity:821
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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