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Delamanid-[d4]

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General Information
Catalog: BLP-002476
Molecular Formula: C25H21D4F3N4O6
Molecular Weight: 538.52

Chemical Structure

Description	Delamanid-[d4], is the labelled analogue of Delamanid. Delamanid is used for the treatment of multi-drug-resistant tuberculosis. It functions by blocking the synthesis of mycolic acids in Mycobacterium tuberculosis, the organism which causes tuberculosis, thus destabilising its cell wall.
Synonyms	Delamanid-D4
IUPAC Name	(2R)-2-methyl-6-nitro-2-[[4-[3,3,5,5-tetradeuterio-4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
Related CAS	681492-22-8 (unlabelled)
Canonical SMILES	CC1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F
InChI	InChI=1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1/i10D2,11D2
InChI Key	XDAOLTSRNUSPPH-JUENFIMFSA-N
Purity	> 98%