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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > quinazolines > lapatinib ditosylate monohydrate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinazolines > lapatinib ditosylate monohydrate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinazolines > lapatinib ditosylate monohydrate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinazolines > lapatinib ditosylate monohydrate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > quinazolines > lapatinib ditosylate monohydrate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > quinazolines > lapatinib ditosylate monohydrate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > quinazolines > lapatinib ditosylate monohydrate

Preferred term

lapatinib ditosylate monohydrate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C29H26ClFN4O4S.C7H8O3S.C7H8O3S.H2O

inchi

  • InChI=1S/C29H26ClFN4O4S.2C7H8O3S.H2O/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);1H2

inchikey

  • XNRVGTHNYCNCFF-UHFFFAOYSA-N

mass

  • 943.470

monoisotopicmass

  • 942.18413

smiles

  • ClC=1C=C(NC2=NC=NC3=C2C=C(C=4OC(CNCCS(=O)(=O)C)=CC4)C=C3)C=CC1OCC5=CC(F)=CC=C5.S(O)(=O)(=O)C1=CC=C(C=C1)C.S(O)(=O)(=O)C1=CC=C(C=C1)C.O

subset

  • 2_STAR

synonym EXACT

  • N-[3-chloro-4-[(3-luorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulonylethylamino)methyl]uran-2-yl]quinazolin-4-amine.4-methylbenzenesulonic acid.hydrate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192581

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