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Icotinib Hydrochloride 5mg

CAT: 0628-A13718-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A13718-5Size:5 mg
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CAS Number
1204313-51-8

Chemical Information

Icotinib Hydrochloride

Icotinib hydrochloride is a member of quinazolines.

CAS Number1204313-51-8
PubChem CID44609731
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;hydrochloride
Molecular FormulaC22H22ClN3O4
Molecular Weight427.9
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity553
SMILES
C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C32)OCCOCCOCCO4.Cl
InChI
InChI=1S/C22H21N3O4.ClH/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);1H
InChIKey
PNNGXMJMUUJHAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Icotinib Hydrochloride
CAS: 1204313-51-8
CID: 44609731
Formula: C22H22ClN3O4
MW: 427.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass427.1298839
Monoisotopic Mass427.1298839
Topological Polar Surface Area74.7 Ų
Heavy Atom Count30
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 Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS130021-01Icotinib Hydrochloride
HY-15164-01Icotinib (Hydrochloride)
HY-15164R-01Icotinib (Hydrochloride) (Standard)
HY-15164A-01Icotinib

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