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1-hydroxymidazolam

PropertiesImage
MNX_IDMNXM152046 Image of MNXM152046
referencechebi:145330
formulaC18H13ClFN3O
global charge0
mol weight341.773
InChIKeyQHSMEGADRFZVNE-UHFFFAOYSA-N
InChIInChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2
SMILESOCC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N21
MNX internals
InChI (mnx)InChI=1/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2 Image of MNXM152046
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:15]([F:20])[C:13]([C:18]2=[N:22][CH2:9][C:12]3=[CH:8][N:21]=[C:17]([CH2:10][OH:24])[N:23]3[C:16]3=[C:14]2[CH:7]=[C:11]([Cl:19])[CH:5]=[CH:6]3)=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:145330
chebi:145330
QHSMEGADRFZVNE-UHFFFAOYSA-N 		1-hydroxymidazolam
1'-hydroxymidazolam
1-OH-MDZ
1-hydroxymethylmidazolam
8-chloro-6-(2-fluorophenyl)-1-hydroxymethyl-4H-imidazo[1,5-a][1,4]benzodiazepine
8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-1-methanol
Ro 21-6347
[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methanol
alpha-hydroxymidazolam

bigg.metabolite:1ohmdz
biggM:1ohmdz
QHSMEGADRFZVNE-UHFFFAOYSA-N 		1'-OH-midazolam

vmhM:1ohmdz
vmhmetabolite:1ohmdz
QHSMEGADRFZVNE-UHFFFAOYSA-N 		1-OH-midazolam
[12-chloro-9-(2-fluorophenyl)-2,4,8-triazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaen-3-yl]methanol
hmdb:HMDB0061089
QHSMEGADRFZVNE-UHFFFAOYSA-N 		Alpha-hydroxymidazolam
1-Hydroxymethylmidazolam
1-Hydroxymidazolam
1-OH-MDZ
[12-chloro-9-(2-fluorophenyl)-2,4,8-triazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaen-3-yl]methanol
a-Hydroxymidazolam
alpha-Hydroxymidazolam
alpha-hydroxymidazolam

hmdb:HMDB61089
biggM:M_1ohmdz
vmhM:M_1ohmdz 		secondary/obsolete/fantasy identifier