Details
Stereochemistry | ACHIRAL |
Molecular Formula | C12H9F3N2O2 |
Molecular Weight | 270.2073 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
Stereo Comments | Teriflunomide then can interconvert between the E and Z enolic forms (and the corresponding keto-amide), with the Z-enol being the most stable and therefore most predominant form (https://en.wikipedia.org/wiki/Leflunomide) |
SHOW SMILES / InChI
SMILES
C\C(O)=C(/C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F
InChI
InChIKey=UTNUDOFZCWSZMS-YFHOEESVSA-N
InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
Approval Year
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Classification Tree | Code System | Code | ||
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LIVERTOX |
NBK548525
Created by
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WHO-VATC |
QL04AA31
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NCI_THESAURUS |
C471
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EMA ASSESSMENT REPORTS |
AUBAGIO (AUTHORIZED: MULTIPLE SCLEROSIS)
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NDF-RT |
N0000185502
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WHO-ATC |
L04AA31
Created by
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Code System | Code | Type | Description | ||
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DB08880
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PRIMARY | |||
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68540
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54684141
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SUB25218
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1357056
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C527525
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TERIFLUNOMIDE
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YY-88
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1C058IKG3B
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Teriflunomide
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7761
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100000089234
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N0000185501
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PRIMARY | Dihydroorotate Dehydrogenase Inhibitors [MoA] | ||
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m10578
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PRIMARY | Merck Index | ||
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CHEMBL973
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108605-62-5
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NON-SPECIFIC STEREOCHEMISTRY | |||
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C76662
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1C058IKG3B
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4634
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6844
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1310520
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PRIMARY | RxNorm | ||
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163451-81-8
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ACTIVE MOIETY
METABOLITE (PARENT)
METABOLITE (PARENT)
METABOLITE (PARENT)
METABOLITE (PARENT)
METABOLITE (PARENT)
METABOLITE (PARENT)
METABOLITE (PARENT)
PRODRUG (METABOLITE ACTIVE)