Compound ID | 3197

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Delamanid

Synonym(s): OPC-67683

Class: Nitroimidazole

Details of activity: Active against Mycobacterium tuberculosis; inhibits synthesis of methoxy mycolic acid and ketomycolic acid
Description: Synthetic compound; nitro-dihydro-imidazooxazole derivative
Institute where first reported: Otsuka Pharmaceutical
Year first mentioned: 2006
Highest developmental phase: Phase 3 (NCT01424670)
Development status: Active (as of 2024)
Chemical structure(s):
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Molecular weight: 534.49
Iso. SMILES: C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F
InChI Key: XDAOLTSRNUSPPH-XMMPIXPASA-N
Can. SMILES: C[C@@]1(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
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/6480466
Guide to Pharmacology: delamanid
Citation: https://journals.plos.org/plosmedicine/article?id=10.1371/journal.pmed.0030466

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