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Lapatinib Ditosylate Hydrate

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Lapatinib Ditosylate Hydrate / CAS : 388082-78-8

Appearance Colorless or yellowish crystal UN 0
HS 0 DG Class 0
Synonyms Lapatinib Ditosylate Monohydrate; Lapatinib Ditosilate Monohydrate; N-(3-Chloro-4-((3-Fluorophenyl)Methoxy)Phenyl)-6-(5-(((2-(Methylsulfonyl)Ethyl)Amino)Methyl)-2-Furanyl)-4-Quinazolinamine Bis(4-Methylbenzenesulfonate) Monohydrate; N-(3-Chloro-4-{[(3-Fluorophenyl)Methyl]Oxy}Phenyl)-6-[5-({[(2-Methylsulfonyl)Ethyl]Arnino}Methyl)-2-Furanyl]-4-Quinazolinamine Bis(4-Methylbenzenesulfonate) Monohydrate; Lapatinib Ditosylate; Benzenesulfonic Acid
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Properties

Summary

Formula
C43H44ClFN4O11S3
Molecular Mass
925.46
Exact Mass
942.18400
PSA
249.46000
Logp
12.26450
IUPAC
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid;hydrate
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

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Antineoplastic Agents

Chemical and Physical Properties

Melting Point
237 - 239 °C
Density
1.403 g/mL (20.84 °C)
Boiling Point
750.7ºC at 760 mmHg
Flash Point
68 °F
Appearance
Colorless or yellowish crystal

Export information

HS Code
0
UN No.
0
DG-Class
0
Risk Code
R43; R51/53
Safety Label
Xi; N

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