Name: Delamanid D4
Rating: 5 (10 reviews)

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HIT ID:HIT212667042
Cas No:2747917-54-8
常用名:Delamanid D4
别名:OPC-67683 D4
IUPAC:1-(4-{[(2R)-2-methyl-6-nitro-2H,3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy}(2,3,5,6-2H4)phenyl)-4-[4-(trifluoromethoxy)phenoxy]piperidine
IUPAC:1-(4-{[(2R)-2-methyl-6-nitro-2H,3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy}(2,3,5,6-2H4)phenyl)-4-[4-(trifluoromethoxy)phenoxy]piperidine
InChI key:XDAOLTSRNUSPPH-HALYWNOZSA-N

分子式:C25H25F3N4O6
分子量:538.517
氢键供体数 (HBD):0
氢键受体数 (HBA):8
LogP:6.1437073
SMILES:[2H]c1c([2H])c(c([2H])c([2H])c1OC[C@@]1(C)Cn2cc(nc2O1)[N+]([O-])=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
SMILES:[2H]c1c([2H])c(c([2H])c([2H])c1OC[C@@]1(C)Cn2cc(nc2O1)[N+]([O-])=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1

Delamanid D4 is deuterium-labeled Delamanid. Delamanid is a newer mycobacterial cell wall synthesis inhibitor that inhibits the synthesis of mucus acid.

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