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Afatinib Impurity D

CAT: 1299-RM-A062004-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A062004-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2223677-63-0
Synonyms
(S, E) -N- (4- ((3,4-dichlorophenyl) amino) -7- ((tetrahydrofuran-3-yl) oxy) quinazolin-6-yl) -4- (dimethylamino) but-2-enamide
Molecular Formula
C24H25Cl2N5O3
Molecular Weight
502.39
Target Alternative Name
Afatinib
Product Name Synonym
(S, E) -N- (4- ((3,4-dichlorophenyl) amino) -7- ((tetrahydrofuran-3-yl) oxy) quinazolin-6-yl) -4- (dimethylamino) but-2-enamide

Chemical Information

(S,E)-N-(4-((3,4-Dichlorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide (Afatinib Impurity)
CAS Number2223677-63-0
PubChem CID154631188
IUPAC Name(E)-N-[4-(3,4-dichloroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
Molecular FormulaC24H25Cl2N5O3
Molecular Weight502.4
XLogP4.2
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity700
SMILES
CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)Cl)O[C@H]4CCOC4
InChI
InChI=1S/C24H25Cl2N5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-18(25)19(26)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
InChIKey
GMLBQFFEIVQHIS-CWDCEQMOSA-N
Chemical Structure
2D Structure
2D structure of (S,E)-N-(4-((3,4-Dichlorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide (Afatinib Impurity)
CAS: 2223677-63-0
CID: 154631188
Formula: C24H25Cl2N5O3
MW: 502.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.4
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass501.1334451
Monoisotopic Mass501.1334451
Topological Polar Surface Area88.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity700
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-A01479-01Afatinib Impurity A
AR-A01485-01Afatinib Impurity D (Z-Afatinib)
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GTR19280858-01Afatinib impurity 6
GTR19280782-01Afatinib impurity 17
GTR19280677-01Afatinib impurity 35
AR-A01511-01Afatinib Impurity 21
AR-A05743-01Afatinib Impurity 59
AR-A01480-01Afatinib Impurity B

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