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Hydroxyhaloperidol

PropertiesImage
MNX_IDMNXM160810 Image of MNXM160810
referencechebi:177583
formulaC21H25ClFNO2
global charge0
mol weight377.887
InChIKeyWNZBBTJFOIOEMP-UHFFFAOYSA-N
InChIInChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2
SMILESOC(CCCN1CCC(O)(C2=CC=C(Cl)C=C2)CC1)C1=CC=C(F)C=C1
MNX internals
InChI (mnx)InChI=1/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20? Image of MNXM160810
SMILES (mnx)[CH2:1]([CH2:2][CH:20]([C:16]1=[CH:4][CH:10]=[C:19]([F:23])[CH:9]=[CH:3]1)[OH:25])[CH2:13][N:24]1[CH2:14][CH2:11][C:21]([C:17]2=[CH:6][CH:8]=[C:18]([Cl:22])[CH:7]=[CH:5]2)([OH:26])[CH2:12][CH2:15]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:177583
chebi:177583
WNZBBTJFOIOEMP-UHFFFAOYSA-N 		Hydroxyhaloperidol
4-(4-chlorophenyl)-1-[4-(4-luorophenyl)-4-hydroxybutyl]piperidin-4-ol
hmdb:HMDB0060903
WNZBBTJFOIOEMP-UHFFFAOYSA-N 		Reduced haloperidol
4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol
4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol
Hydroxyhaloperidol

hmdb:HMDB60903 		secondary/obsolete/fantasy identifier