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Details

Stereochemistry ACHIRAL
Molecular Formula C29H26ClFN4O4S.2C7H8O3S.H2O
Molecular Weight 943.476
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAPATINIB DITOSYLATE

SMILES

O.CC1=CC=C(C=C1)S(O)(=O)=O.CC2=CC=C(C=C2)S(O)(=O)=O.CS(=O)(=O)CCNCC3=CC=C(O3)C4=CC=C5N=CN=C(NC6=CC=C(OCC7=CC=CC(F)=C7)C(Cl)=C6)C5=C4

InChI

InChIKey=XNRVGTHNYCNCFF-UHFFFAOYSA-N
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

HIDE SMILES / InChI
Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C29H26ClFN4O4S
Molecular Weight 581.058
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C7H8O3S
Molecular Weight 172.202
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:59:04 UTC 2023
Edited
by admin
on Fri Dec 15 15:59:04 UTC 2023
Record UNII
G873GX646R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAPATINIB DITOSYLATE
ORANGE BOOK   USAN  
USAN  
Official Name English
LAPATINIB DITOLUENESULFONATE MONOHYDRATE
MI  
Common Name English
LAPATINIB TOSILATE HYDRATE
JAN  
Common Name English
LAPATINIB DITOSYLATE MONOHYDRATE
WHO-DD  
Common Name English
LAPATINIB DITOSYLATE [ORANGE BOOK]
Common Name English
LAPATINIB TOSILATE HYDRATE [JAN]
Common Name English
TYVERB
Brand Name English
GW-572016F
Code English
Lapatinib ditosylate monohydrate [WHO-DD]
Common Name English
LAPATINIB DITOLUENESULFONATE MONOHYDRATE [MI]
Common Name English
4-QUINAZOLINAMINE, N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-6-(5-(((2-(METHYLSULPHONYL)ETHYL)AMINO)METHYL)-2-FURANYL)-, BIS(4-METHYLBENZENESULPHONATE), MONOHYDRATE
Common Name English
LAPATINIB TOSILATE [MART.]
Common Name English
LAPATINIB DITOSYLATE [USAN]
Common Name English
GW572016F
Code English
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)
Common Name English
TYKERB
Brand Name English
N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]furan-2-yl]quinazolin-4-amine bis(4-methylbenzenesulfonate) monohydrate
Common Name English
4-QUINAZOLINAMINE, N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-6-(5-(((2-(METHYLSULFONYL)ETHYL)AMINO)METHYL)-2-FURANYL)-, BIS(4-METHYLBENZENESULFONATE), MONOHYDRATE
Common Name English
TYCERB
Brand Name English
Classification Tree Code System Code
NCI_THESAURUS C2167
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
NCI_THESAURUS C129825
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
NCI_THESAURUS C155764
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
FDA ORPHAN DRUG 284309
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
Code System Code Type Description
USAN
OO-69
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
PRIMARY
EPA CompTox
DTXSID90904689
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
PRIMARY
CHEBI
49603
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
PRIMARY
EVMPD
SUB27753
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
PRIMARY
DRUG BANK
DB01259
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
PRIMARY
MERCK INDEX
m6688
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C66878
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
PRIMARY
RXCUI
481474
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
PRIMARY RxNorm
CAS
388082-78-8
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
PRIMARY
FDA UNII
G873GX646R
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
PRIMARY
ChEMBL
CHEMBL554
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
PRIMARY
SMS_ID
300000034642
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
PRIMARY
PUBCHEM
11557040
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
PRIMARY
DAILYMED
G873GX646R
Created by admin on Fri Dec 15 15:59:04 UTC 2023 , Edited by admin on Fri Dec 15 15:59:04 UTC 2023
PRIMARY
Related Record Type Details
Structure of LAPATINIB
PARENT -> SALT/SOLVATE
Structure of LAPATINIB DITOSYLATE ANHYDROUS
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of LAPATINIB
ACTIVE MOIETY
NIH
NCATS
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