API0232685
Pretomanid
Pregabalin is an anticonvulsant drug.
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CAS No.
187235-37-6
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Synonyms
Pretomanid; PA824; (S)-PA 824
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CHEMBL ID
CHEMBL227875
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Molecule Type
Small molecule
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Compound CID
456199
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Molecular Weight (g/mol)
359.26
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Molecular Formula
C14H12F3N3O5
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InChI
InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1
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InChIKey
ZLHZLMOSPGACSZ-NSHDSACASA-N
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SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F
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IUPAC Name
(6S)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
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Exact Mass (Da)
359.07290498
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Monoisotopic Mass (Da)
359.07290498
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