Pretomanid (PA-824)

Catalog Number: BC-0446

CAS Number: 187235-37-6

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Specifications

Product Information
Molecular Formula	C₁₄H₁₂F₃N₃O₅
Molecular Weight	359.26
Purity	≥95%
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
InChi Key	ZLHZLMOSPGACSZ-NSHDSACASA-N
Alternate Name	(6S)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; (S)-2-Nitro-6-((4-(trifluoromethoxy)benzyl)oxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; (3S)-8-nitro-3-[[4-(trifluoromethoxy)phenyl]methoxy]-5-oxa-1,7-diazabicyclo[4.3.0]nona-6,8-diene
Appearance	White to Pale Yellow Solid

Properties
Storage Conditions	-20ºC
Shipping Conditions	RT
Solubility	~5 mg/ml in DMSO (may need warming or ultrasonication)

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