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Chemical structure of Delamanid

GC19122

Delamanid

Also known as (2R)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole

Delamanid, a newer mycobacterial cell wall synthesis inhibitor, inhibits the synthesisi of mucolic acids, cruciala component of the cell wall of the Mycobacterium tuberculosis complex

ChemicalCAS681492-22-8MW534.48FormulaC25H25F3N4O6
CAS number
681492-22-8
Molecular weight
534.48
Formula
C25H25F3N4O6
Solubility
DMSO ： ≥ 50 mg/mL (93·55 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
XDAOLTSRNUSPPH-XMMPIXPASA-N
Catalogue number
GC19122
Brand
GLPBIO
Computed properties PubChem CID 6480466 · XLogP 5.6 · TPSA 104 Ų · H-bond donors 0
XLogP
5.6
TPSA
104 Ų
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
38

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

Computed descriptors from PubChem (CID 6480466), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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