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| CAS Number | 75706-12-6 |
| Catalog Number | AG005IU1(AGN-PC-07A21Q) |
| Chemical Name | Leflunomide |
| IUPAC Name | 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide |
| InChI | InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18) |
| InChI Key | VHOGYURTWQBHIL-UHFFFAOYSA-N |
| MDL Number | MFCD00867593 |
| Molecular Formula | C12H9F3N2O2 |
| Molecular Weight | 270.2073 |
| SMILES | O=C(C1=C(C)ON=C1)NC2=CC=C(C(F)(F)F)C=C2 |
| UNII | G162GK9U4W |
| Synonyms | Arava,
HWA 486,
HWA-486,
HWA486,
leflunomide,
N-(4-trifluoromethyphenyl)-5-methylisoxazole-4-carboxamide,
SU101,
leflunomide,
75706-12-6,
Arava,
Leflunomidum,
lefunamide,
Leflunomida,
HWA 486,
Leflunomidum [INN-Latin],
HWA-486,
5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide,
Leflunomida [INN-Spanish],
SU 101 (pharmaceutical),
Arava (TN),
Lefunomide [Inn-Spanish],
SU101,
5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide,
5-Methylisoxazole-4-carboxylic acid (4-trifluoromethyl)anilide,
UNII-G162GK9U4W,
SU-101,
5-methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide,
5-methyl-N-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxamide,
4-Isoxazolecarboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-,
alpha,alpha,alpha-Trifluoro-5-methyl-4-isoxazolecarboxy-p-toluidide,
HSDB 7289,
CHEMBL960,
RS-34821,
MLS000069648,
CHEBI:6402,
G162GK9U4W,
N-(4'-Trifluoromethylphenyl)-5-methylisoxazole-4-carboxamide,
5-Methylisoxazole-4-(4-trifluoromethylcarboxanilide),
MFCD00867593,
NCGC00015610-02,
SMR000058209,
5-methyl-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide,
4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl)-,
CAS-75706-12-6,
DSSTox_CID_3201,
DSSTox_RID_76923,
DSSTox_GSID_23201,
Leflunomid,
Repso,
Leflunomide [USAN:INN],
SR-01000000191,
Lefunomide,
Arabloc,
Leflunomide (JAN/USAN/INN),
HWA486,
Prestwick_87,
Leflunomide [USAN:USP:INN:BAN],
SU 101,
SULOL,
N-(4-trifluoromethyphenyl)-5-methylisoxazole-4-carboxamide,
Spectrum_000322,
AC1L1GYK,
AC1Q2EVA,
Opera_ID_1709,
Prestwick0_000772,
Prestwick1_000772,
Prestwick2_000772,
Prestwick3_000772,
Spectrum5_000850,
Lopac-L-5025,
L 5025,
SCHEMBL5057,
BIDD:PXR0189,
Lopac0_000649,
BSPBio_000844,
KBioSS_000802,
Leflunomide, Immunosuppressant,
MLS001076267,
DivK1c_000916,
SPECTRUM1503927,
5-Methylisoxazole-4-(4-trifluoromethyl)carboxanilide,
SPBio_002783,
BPBio1_000930,
GTPL6825,
ISO054,
ZINC4840,
DTXSID9023201,
CTK8G0535,
HMS502N18,
KBio1_000916,
KBio2_000802,
KBio2_003370,
KBio2_005938,
KS-00000KQI,
AOB5964,
NINDS_000916,
VHOGYURTWQBHIL-UHFFFAOYSA-N,
4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl,
4-isoxazolecarboxamide,5-methyl-N-(4-(trifluoromethyl)phenyl),
5-methyl-n-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamid,
HMS1570K06,
HMS1922M06,
HMS2090O12,
HMS2097K06,
HMS2235C07,
HMS3262A19,
HMS3268D12,
HMS3371F21,
HMS3654F07,
HMS3678N21,
HMS3714K06,
Pharmakon1600-01503927,
ALBB-019233,
BCP22241,
EBD46417,
HY-B0083,
Tox21_110182,
Tox21_301873,
Tox21_500649,
ABP001076,
BDBM50054601,
DL-433,
NSC677411,
NSC759864,
s1247,
STL426823,
AKOS000265193,
Tox21_110182_1,
AC-6796,
AN-9632,
BCP9000846,
CCG-204736,
CS-1781,
DB01097,
KS-1076,
LP00649,
MCULE-9490869974,
NSC-677411,
NSC-759864,
RP29613,
SB17287,
IDI1_000916,
NCGC00015610-01,
NCGC00015610-03,
NCGC00015610-04,
NCGC00015610-05,
NCGC00015610-06,
NCGC00015610-07,
NCGC00015610-08,
NCGC00015610-09,
NCGC00015610-10,
NCGC00015610-11,
NCGC00015610-12,
NCGC00015610-13,
NCGC00015610-14,
NCGC00015610-17,
NCGC00015610-18,
NCGC00022625-03,
NCGC00022625-04,
NCGC00022625-05,
NCGC00022625-06,
NCGC00022625-07,
NCGC00022625-08,
NCGC00255370-01,
NCGC00261334-01,
AJ-08231,
AK161855,
BC204155,
H527,
LS-86580,
SC-46541,
ST079287,
ZB000596,
AB0007396,
TL8005179,
A9622,
AB00052389,
EU-0100649,
FT-0621959,
L0250,
R3926,
ST24047486,
SW196399-3,
C07905,
D00749,
MLS-0003109.0001,
AB00052389-17,
AB00052389-18,
AB00052389_19,
AB00052389_21,
706L126,
A77 1486,
I06-2131,
Q-201289,
SR-01000000191-2,
SR-01000000191-4,
SR-01000000191-7,
BRD-K78692225-001-03-9,
BRD-K78692225-001-11-2,
5-methyl-4-(4-trifluoromethyl-phenyl)aminocarbonylisoxazole,
5-methyl-4-(4-trifluoromethylphenyl)aminocarbonylisoxazole,
5-METHYLISOXAZOLE-4-(4-TRIFLUOROMETHYLCARBOXANILID,
Leflunomide, European Pharmacopoeia (EP) Reference Standard,
N-(4-trifluoromethylphenyl)-5-methylisoxazole-4-carboxamide,
5-methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide;,
5-methylisoxazole-4-carboxylic acid (4-trifluoromethyl)-anilide,
N-(4-trifluoromethylphenyl)-5-methylisoxa-zole-4-carboxamide,
(5-methylisoxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]carboxamide,
Isoxazole-4-carboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-,
Leflunomide, United States Pharmacopeia (USP) Reference Standard,
Leflunomide, Pharmaceutical Secondary Standard; Certified Reference Material,
Leflunomide for peak identification, European Pharmacopoeia (EP) Reference Standard,
avara,
lefumide,
leflunomide medac,
Leflunomide Apotex,
Arava, Leflunomide,
Leflunomide Actavis,
Leflunomide [INN],
C12H9F3N2O2,
D08ROP,
Aventis Brand of Leflunomide,
Hoechst Brand of Leflunomide,
Leflunomide, 98% - 1g 1g,
CID3899,
Aventis Pharma Brand of Leflunomide,
Aventis Behring Brand of Leflunomide,
C12-H9-F3-N2-O2,
CL0019,
CS-O-01811,
A2852,
A10521,
AP-501/42475599,
C045463,
D000077339,
4-Isoxazolecarboxamida, 5-metil-N-[4-(trifluorometil)fenil]-,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.211g/mol |
| Monoisotopic Mass | 270.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | Ⅲ |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code | UN 2811 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

