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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H25ClFN5O3.2C4H4O4
Molecular Weight 718.083
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of AFATINIB DIMALEATE

SMILES

OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CN(C)C\C=C\C(=O)NC1=CC2=C(C=C1O[C@H]3CCOC3)N=CN=C2NC4=CC(Cl)=C(F)C=C4

InChI

InChIKey=USNRYVNRPYXCSP-JUGPPOIOSA-N
InChI=1S/C24H25ClFN5O3.2C4H4O4/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15;2*5-3(6)1-2-4(7)8/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29);2*1-2H,(H,5,6)(H,7,8)/b4-3+;2*2-1-/t16-;;/m0../s1

HIDE SMILES / InChI
Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE
Molecular Formula C24H25ClFN5O3
Molecular Weight 485.938
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:56:21 UTC 2023
Edited
by admin
on Fri Dec 15 15:56:21 UTC 2023
Record UNII
V1T5K7RZ0B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AFATINIB DIMALEATE
MI   ORANGE BOOK   USAN   VANDF   WHO-DD  
USAN  
Official Name English
AFATINIB DIMALEATE [MI]
Common Name English
BIBW-2992MA2
Code English
AFATINIB DIMALEATE [USAN]
Common Name English
BIBW-2992 MA2
Code English
GILOTRIF
Brand Name English
2-BUTENAMIDE, N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-(((3S)-TETRAHYDRO-3-FURANYL)OXY)-6-QUINAZOLINYL)-4-(DIMETHYLAMINO)-, (2E)-, (2Z)-2-BUTENEDIOATE (1:2)
Common Name English
BIBW2992 MA2
Code English
(2E)-N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-(((3S)-TETRAHYDROFURAN-3-YL)OXY)QUINAZOLIN- 6-YL)-4-(DIMETHYLAMINO)BUT-2-ENAMIDE BIS(HYDROGEN (2Z)-BUT-2-ENEDIOATE)
Common Name English
AFATINIB MALEATE
JAN  
JAN  
Official Name English
BIBW-2992-MA2
Code English
AFATINIB DIMALEATE [VANDF]
Common Name English
BIBW2992-MA2
Code English
AFATINIB DIMALEATE [ORANGE BOOK]
Common Name English
Afatinib dimaleate [WHO-DD]
Common Name English
GIOTRIF
Brand Name English
AFATINIB MALEATE [JAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
NCI_THESAURUS C2167
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
Code System Code Type Description
FDA UNII
V1T5K7RZ0B
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
PRIMARY
USAN
YY-17
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
PRIMARY
CAS
850140-73-7
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
PRIMARY
MERCK INDEX
m1439
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
PRIMARY Merck Index
CHEBI
76003
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
PRIMARY
NCI_THESAURUS
C97273
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
PRIMARY
JAPANESE REVIEW
GIOTRIF
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
PRIMARY APPROVED JANUARY 2014
DRUG BANK
DBSALT000005
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
PRIMARY
RXCUI
1430441
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
PRIMARY RxNorm
EPA CompTox
DTXSID701027713
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
PRIMARY
ChEMBL
CHEMBL1173655
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
PRIMARY
SMS_ID
100000144600
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
PRIMARY
EVMPD
SUB121316
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
PRIMARY
CAS
936631-70-8
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
15606394
Created by admin on Fri Dec 15 15:56:21 UTC 2023 , Edited by admin on Fri Dec 15 15:56:21 UTC 2023
PRIMARY
Related Record Type Details
Structure of MALEIC ACID
PARENT -> SALT/SOLVATE
Structure of AFATINIB
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of AFATINIB
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