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Pretomanid-[d4]

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General Information
Catalog: BLP-000764
CAS: 1346617-34-2
Molecular Formula: C14H8D4F3N3O5
Molecular Weight: 363.28

Chemical Structure

Description	Pretomanid-[d4] is the labelled analogue of PA-824. PA-824, a bioreductive drug. PA-824 has potent in vitro activity against Mycobacterium tuberculosis. PA-824 was tested in vitro against a broad panel of multidrug-resistant clinical isolates and was found to be highly active against all isolates.
Synonyms	(S)-PA 824 D4; Pretomanid-d4; (6S)-6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine-d4; (S)-6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine-d4; PA 824-d4
IUPAC Name	(6S)-5,5-dideuterio-6-[dideuterio-[4-(trifluoromethoxy)phenyl]methoxy]-2-nitro-6,7-dihydroimidazo[2,1-b][1,3]oxazine
Related CAS	187235-37-6 (unlabelled)
Canonical SMILES	C1C(COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F
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/i5D2,7D2
InChI Key	ZLHZLMOSPGACSZ-QXCFPOKCSA-N
Melting Point	145-150 °C
Purity	> 98%; > 98% atom D
Solubility	Slightly soluble in DMSO, Methanol (Heated)
Appearance	White Solid
Storage	2-8 °C