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Icotinib

CAT: 0127-BUP04458-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04458-03Size:10 mg
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CAS Number
610798-31-7
Synonyms
BPI-2009, BPI-2009H, Conmana
Purity
=98%
Smiles
C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1

Chemical Information

Icotinib

Icotinib is a potent and specific epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor (TKI) Icotinib was approved in China by the SFDA in June, 2011 and in January 2014, Beta Pharma, Inc. was given a “May Proceed” from the US FDA to conduct a Phase I study for the evaluation of icotinib as a treatment of EGFR+ Non-Small Cell Lung Cancer (NSCLC).

CAS Number610798-31-7
PubChem CID22024915
IUPAC NameN-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
Molecular FormulaC22H21N3O4
Molecular Weight391.4
XLogP3.1
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity553
SMILES
C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C32)OCCOCCOCCO4
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
QQLKULDARVNMAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Icotinib
CAS: 610798-31-7
CID: 22024915
Formula: C22H21N3O4
MW: 391.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass391.15320616
Monoisotopic Mass391.15320616
Topological Polar Surface Area74.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-15164A-01Icotinib
A3482-5Icotinib Hydrochloride
TMIH-0276-01Icotinib-d4
A13825-5Icotinib 5mg
A13825-1Icotinib 1mg
HY-15164ARIcotinib (Standard)
205847Icotinib HCl
A13825-10Icotinib 10mg
A13825-2Icotinib 2mg

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