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Lapatinib Ditosylate

CAT: 0013-GTR19172047-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172047-02Size:50 mg
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Description
Lapatinib Ditosylate
CAS Number
388082-77-7
Product Name Alternative
Tykerb, Tykerb Ditosylate, Tykerb ditosylate, Lapatinib (GW-572016), Lapatinib (GW-572016) Ditosylate, Lapatinib Ditosylate, Lapatinib, HER2/ErbB2, HER1, GW2016 ditosylate, GW572016, GW572016 ditosylate, GW572016 Ditosylate, GW-572016 Ditosylate, GW-572016 ditosylate, GW-572016, GW 572016, GW 572016 Ditosylate, EGFR, Epidermal growth factor receptor, ErbB-1, Ferroptosis, inhibit, Inhibitor, Autophagy
Field of Research
Cardiovascular Research, Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Purity
98.42% (May vary between batches)
Solubility
Ethanol:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:250 mg/mL (270.14 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (3.57 mM)
Smiles
CC1=CC=C (C=C1) S (O) (=O) =O.CC1=CC=C (C=C1) S (O) (=O) =O.CS (=O) (=O) CCNCC1=CC=C (O1) C1=CC2=C (NC3=CC=C (OCC4=CC (F) =CC=C4) C (Cl) =C3) N=CN=C2C=C1
Molecular Formula
C29H26ClFN4O4S·2C7H8O3S
Molecular Weight
925.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lapatinib ditosylate anhydrous

See also: Lapatinib Ditosylate (annotation moved to); Lapatinib (annotation moved to).

CAS Number388082-77-7
PubChem CID9941095
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;bis(4-methylbenzenesulfonic acid)
Molecular FormulaC43H42ClFN4O10S3
Molecular Weight925.5
Topological Polar Surface Area240
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Heavy Atom Count62
Formal Charge0
Complexity1100
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
InChI
InChI=1S/C29H26ClFN4O4S.2C7H8O3S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2*2-5H,1H3,(H,8,9,10)
InChIKey
UWYXLGUQQFPJRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lapatinib ditosylate anhydrous
CAS: 388082-77-7
CID: 9941095
Formula: C43H42ClFN4O10S3
MW: 925.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight925.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Exact Mass924.1735629
Monoisotopic Mass924.1735629
Topological Polar Surface Area240 Ų
Heavy Atom Count62
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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