Delamanid

CAS Registry Number®

681492-22-8

CAS Name

Delamanid

Molecular Formula

C25H25F3N4O6

Molecular Mass

534.48

Cite this Page

Delamanid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=681492-22-8 (retrieved 2024-11-24) (CAS RN: 681492-22-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-196 °C

Source(s)

Other Names and Identifiers

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

InChIKey

InChIKey=XDAOLTSRNUSPPH-XMMPIXPASA-N

SMILES

C(OC1=CC=C(C=C1)N2CCC(OC3=CC=C(OC(F)(F)F)C=C3)CC2)[C@@]4(C)CN5C(O4)=NC(N(=O)=O)=C5

Canonical SMILES

O=N(=O)C=1N=C2OC(C)(COC3=CC=C(C=C3)N4CCC(OC5=CC=C(OC(F)(F)F)C=C5)CC4)CN2C1

Other Names for this Substance

  • Imidazo[2,1-b]oxazole, 2,3-dihydro-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]-1-piperidinyl]phenoxy]methyl]-, (2R)-
  • (2R)-2,3-Dihydro-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]-1-piperidinyl]phenoxy]methyl]imidazo[2,1-b]oxazole
  • OPC 67683
  • Delamanid
  • (2R)-2-Methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole

View All

Deleted or Replaced CAS Registry Numbers

1299458-95-9, 1318734-92-7

CAS INSIGHTSTM
Hourglass and a clock