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Lapatinib-D8

CAT: 1299-RM-L162036-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L162036-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2468771-43-7
Synonyms
N- (4- (1-cyanocyclopentyl-2,2,3,3,4,4,5,5-d8) phenyl) -2- ((pyridin-4-ylmethyl) amino) nicotinamide
Molecular Formula
C24H15D8N5O
Molecular Weight
405.53
Target Alternative Name
Lapatinib
Product Name Synonym
N- (4- (1-cyanocyclopentyl-2,2,3,3,4,4,5,5-d8) phenyl) -2- ((pyridin-4-ylmethyl) amino) nicotinamide

Chemical Information

Apatinib-d8
CAS Number2468771-43-7
PubChem CID76974272
IUPAC NameN-[4-(1-cyano-2,2,3,3,4,4,5,5-octadeuteriocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
Molecular FormulaC24H23N5O
Molecular Weight405.5
XLogP4.1
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity608
SMILES
[2H]C1(C(C(C(C1([2H])[2H])(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C24H23N5O/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30)/i1D2,2D2,11D2,12D2
InChIKey
WPEWQEMJFLWMLV-MMBGVTJSSA-N
Chemical Structure
2D Structure
2D structure of Apatinib-d8
CAS: 2468771-43-7
CID: 76974272
Formula: C24H23N5O
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass405.24047434
Monoisotopic Mass405.24047434
Topological Polar Surface Area90.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity608
Isotope Atom Count8
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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