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delamanid

PropertiesImage
MNX_IDMNXM48951 Image of MNXM48951
referencechebi:134742
formulaC25H25F3N4O6
global charge0
mol weight534.491
InChIKeyXDAOLTSRNUSPPH-XMMPIXPASA-N
InChIInChI=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
SMILESC[C@]1(COC2=CC=C(N3CCC(OC4=CC=C(OC(F)(F)F)C=C4)CC3)C=C2)CN2C=C([N+](=O)[O-])N=C2O1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM48951
SMILES (mnx)[CH3:1][C@:24]1([CH2:16][O:35][C:18]2=[CH:5][CH:3]=[C:17]([N:30]3[CH2:12][CH2:10][CH:20]([O:36][C:19]4=[CH:7][CH:9]=[C:21]([O:37][C:25]([F:26])([F:27])[F:28])[CH:8]=[CH:6]4)[CH2:11][CH2:13]3)[CH:2]=[CH:4]2)[CH2:15][N:31]2[CH:14]=[C:22]([N+:32]([O-:33])=[O:34])[N:29]=[C:23]2[O:38]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:134742
chebi:134742
XDAOLTSRNUSPPH-XMMPIXPASA-N 		delamanid
OPC-67683
deltyba

kegg.drug:D09785
keggD:D09785
XDAOLTSRNUSPPH-XMMPIXPASA-N 		Delamanid (JAN/USAN)
ABBR DMD
Deltyba (TN)
hmdb:HMDB0250966
XDAOLTSRNUSPPH-UHFFFAOYSA-N 		Delamanid
1-[4-({2-methyl-6-nitro-2H,3H-imidazo[2,1-b][1,3]oxazol-2-yl}methoxy)phenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine
1-[4-({2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl}methoxy)phenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine

keggD:M_D09785 		secondary/obsolete/fantasy identifier