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Lapatinib Hydroxylamine

CAT: 1596-AR-L01195-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01195-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1360431-86-2
Synonyms
N- (3-chloro-4- ((3-fluorobenzyl) oxy) phenyl) -6- (5- ((hydroxy (2- (methylsulfonyl) ethyl) amino) methyl) furan-2-yl) quinazolin-4-amine
Molecular Formula
C29H26ClFN4O5S
Molecular Weight
597.06
API Name
Lapatinib

Chemical Information

4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-((hydroxy(2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-
CAS Number1360431-86-2
PubChem CID118753054
IUPAC NameN-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-(2-methylsulfonylethyl)hydroxylamine
Molecular FormulaC29H26ClFN4O5S
Molecular Weight597.1
XLogP5.1
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity931
SMILES
CS(=O)(=O)CCN(CC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)O
InChI
InChI=1S/C29H26ClFN4O5S/c1-41(37,38)12-11-35(36)16-23-7-10-27(40-23)20-5-8-26-24(14-20)29(33-18-32-26)34-22-6-9-28(25(30)15-22)39-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,36H,11-12,16-17H2,1H3,(H,32,33,34)
InChIKey
WPGSOXVHSRJVIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-((hydroxy(2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-
CAS: 1360431-86-2
CID: 118753054
Formula: C29H26ClFN4O5S
MW: 597.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight597.1
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass596.1296470
Monoisotopic Mass596.1296470
Topological Polar Surface Area126 Ų
Heavy Atom Count41
Formal Charge0
Complexity931
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

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