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Lapatinib Ditosylate Monohydrate

CAT: 0572-TRC-L175813-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L175813-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
388082-78-8
Synonyms
4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-, 4-methylbenzenesulfonate, hydrate (1:2:1); 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-, bis(4-methylbenzenesulfonate), monohydrate (9CI); Lapatinib ditosylate monohydrate; GW 572016F; GW 572016F
Hazard Statement
Suspected of damaging fertility or the unborn child
Purity
>95% (HPLC)
Smiles
O.Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.CS(=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4
Molecular Formula
C29 H26 Cl F N4 O4 S . 2 C7 H8 O3 S . H2 O
Molecular Weight
943.48
InChI
InChI=1S/C29H26ClFN4O4S.2C7H8O3S.H2O/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);1H2
Additionnal Information
IUPAC name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid;hydrate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Lapatinib Ditosylate

Lapatinib ditosylate monohydrate is a member of quinazolines.

CAS Number388082-78-8
PubChem CID11557040
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;bis(4-methylbenzenesulfonic acid);hydrate
Molecular FormulaC43H44ClFN4O11S3
Molecular Weight943.5
Topological Polar Surface Area241
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count13
Heavy Atom Count63
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.O
InChI
InChI=1S/C29H26ClFN4O4S.2C7H8O3S.H2O/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);1H2
InChIKey
XNRVGTHNYCNCFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lapatinib Ditosylate
CAS: 388082-78-8
CID: 11557040
Formula: C43H44ClFN4O11S3
MW: 943.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight943.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count13
Exact Mass942.1841276
Monoisotopic Mass942.1841276
Topological Polar Surface Area241 Ų
Heavy Atom Count63
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 Count4
Compound Is CanonicalizedYes

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FL24843-01Lapatinib ditosylate monohydrate
HY-50898B-01Lapatinib (ditosylate monohydrate)
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