Delamanid

Analyte Name

Delamanid

CAS Number

681492-22-8

Molecular Formula

C25 H25 F3 N4 O6

Molecular Weight

534.48

Accurate Mass

534.1726

SMILES

C[C@]1(COc2ccc(cc2)N3CCC(CC3)Oc4ccc(OC(F)(F)F)cc4)Cn5cc(nc5O1)[N+](=O)[O-]

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

IUPAC

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

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Delamanid

Purity

>95% (HPLC)