Icotinib

CAS Registry Number®

610798-31-7
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CAS Name

Icotinib

Molecular Formula

C22H21N3O4

Molecular Mass

391.42

Cite this Page

Icotinib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=610798-31-7 (retrieved 2024-04-25) (CAS RN: 610798-31-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)

InChIKey

InChIKey=QQLKULDARVNMAL-UHFFFAOYSA-N

SMILES

N(C=1C2=C(C=C3C(=C2)OCCOCCOCCO3)N=CN1)C4=CC(C#C)=CC=C4

Canonical SMILES

C#CC1=CC=CC(=C1)NC=2N=CN=C3C=C4OCCOCCOCCOC4=CC32

Other Names for this Substance

  • [1,4,7,10]Tetraoxacyclododecino[2,3-g]quinazolin-4-amine, N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro-
  • N-(3-Ethynylphenyl)-7,8,10,11,13,14-hexahydro[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4-amine
  • Icotinib
  • BPI 2009H

Deleted or Replaced CAS Registry Numbers

1640118-92-8

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