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| CAS Number | 850140-72-6 |
| Catalog Number | AG0050P4 |
| Chemical Name | Afatinib |
| EC Number | 923-981-5 |
| IUPAC Name | (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide |
| InChI | InChI=1S/C24H25ClFN5O3/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/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 |
| InChI Key | ULXXDDBFHOBEHA-CWDCEQMOSA-N |
| MDL Number | MFCD12407405 |
| Molecular Formula | C24H25ClFN5O3 |
| Molecular Weight | 485.9384 |
| NSC Number | 750691 |
| SMILES | O=C(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1O[C@@H]4COCC4)/C=C/CN(C)C |
| UNII | 41UD74L59M |
| Synonyms | (2E)-N-(4-(3-chloro-4-fluoroanilino)-7-(((3S)-oxolan-3-yl)oxy)quinoxazolin-6-yl)-4-(dimethylamino)but-2-enamide,
afatinib,
afatinib dimaleate,
afatinib maleate,
BIBW 2992,
BIBW 2992 MA2,
BIBW 2992MA2,
BIBW-2992,
BIBW-2992-MA2,
BIBW-2992MA2,
BIBW2992,
BIBW2992 MA2,
Gilotrif,
Afatinib,
439081-18-2,
850140-72-6,
BIBW2992,
Tovok,
BIBW 2992,
Tomtovok,
BIBW-2992,
Afatinib (BIBW2992),
(S,E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide,
afatinibum,
UNII-41UD74L59M,
Tovok,BIBW2992,
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide,
(S)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide,
N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-Butenamide,
CHEMBL1173655,
CHEBI:61390,
41UD74L59M,
S1011,
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide,
(S,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide,
J-500781,
J-502300,
(2e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3s)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-2-butenamide,
2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-, (2E)-,
C24H25ClFN5O3,
Afatinib [USAN:INN],
(E)-4-dimethylamino-but-2-enoic acid-(4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6-yl)-amide,
(E)-4-Dimethylamino-but-2-enoic acid-[4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6-yl]-amide,
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2E)-,
Afatinib Impurity G,
Afatinib, Free Base,
BIBW2992,Afatinib,
PubChem22403,
Afatinib (USAN/INN),
BIBW2992 - Afatinib,
Tovok|||BIBW 2992,
(2E)-N-(4-(3-chloro-4-fluoroanilino)-7-(((3S)-oxolan-3-yl)oxy)quinoxazolin-6-yl)-4-(dimethylamino)but-2-enamide,
MLS006010000,
BIFK0010,
GTPL5667,
CHEBI:94698,
EX-A065,
QCR-169,
ULXXDDBFHOBEHA-CWDCEQMOSA-N,
ZX-AFC000305,
BCPP000338,
(R,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide,
AMX10177,
AOB87785,
BCP01779,
ZINC3976838,
BIBW2992/Tovok,BIBW-2992,
3123AC,
ABP000859,
AN-537,
BDBM50322823,
MFCD12407405,
NSC750691,
Afatinib(cis-trans isomerismtautomers),
AKOS015850681,
AKOS015904219,
AKOS025149636,
BCP9000407,
DB08916,
EX-8656,
NSC-750691,
PB28439,
RL05240,
NCGC00185000-01,
AC-26079,
AC-27018,
AJ-47553,
AM808098,
DS-14172,
SC-66830,
SC-87772,
SMR004701084,
AB0033685,
AX8164181,
AX8210970,
TC-162525,
TC-163608,
FT-0083487,
ST24036355,
SW219248-1,
X7366,
A15572,
D09724,
Q-3651,
AB01565886_02,
081B182,
SR-01000941576,
SR-01000941576-1,
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino,
BRD-K66175015-001-01-7,
I14-17009,
(2E)-N-[4-(3-Chloro-4-fluoroanilino)-7-[[(3S)-oxolane-3-yl]oxy]quinazoline-6-yl]-4-(dimethylamino)-2-buteneamide,
(E)-4-dimethylamino-but-2-enoic acid-(4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6yl)-amide,
(E)-N-[4-(3-chloro-4-fluoro-anilino)-7-[(3S)-tetrahydrofuran-3-yl]oxy-quinazolin-6-yl]-4-(dimethylamino)but-2-enamide,
(S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide,
N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3''S'')-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4(dimethylamino)-2-butenamide,
Gilotrif,
Afatinib maleate,
Afatinib [USAN],
Tovok (TN),
AFATINIB DIMALEATE,
BIBW2992 Afatinib,
Tovok, BIBW2992,
EGFR inhibitor 2nd gens,
D05UFG,
cc-109,
BIBW 2992MA2,
BIBW-2992MA2,
BIBW2992 MA2,
BIBW 2992 MA2,
BIBW-2992-MA2,
Afatinib, 99% - 25MG 25mg,
ACN-036294,
CS-T-01429,
CID10184653,
CID 10184653,
PD0332991,
A8247,
A10141,
C522924,
D000077716,
0WM,
2-butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)- 6-quinazolinyl)-4-(dimethylamino)-, (2E)-,
2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-,
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),
6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one 2-hydroxy-ethanesulfonic acid (1:1),
|
| Complexity | 702 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 485.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 485.944g/mol |
| Monoisotopic Mass | 485.163g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 88.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302 |
| Packing Group | |
| Precautionary statements | P280-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
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| Test: | Result: |

