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4-hydroxymidazolam

PropertiesImage
MNX_IDMNXM151195 Image of MNXM151195
referencechebi:145331
formulaC18H13ClFN3O
global charge0
mol weight341.773
InChIKeyZYISITHKPKHPKG-UHFFFAOYSA-N
InChIInChI=1S/C18H13ClFN3O/c1-10-21-9-16-18(24)22-17(12-4-2-3-5-14(12)20)13-8-11(19)6-7-15(13)23(10)16/h2-9,18,24H,1H3
SMILESCC1=NC=C2C(O)N=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N21
MNX internals
InChI (mnx)InChI=1/C18H13ClFN3O/c1-10-21-9-16-18(24)22-17(12-4-2-3-5-14(12)20)13-8-11(19)6-7-15(13)23(10)16/h2-9,18,24H,1H3/t18? Image of MNXM151195
SMILES (mnx)[CH3:1][C:10]1=[N:21][CH:9]=[C:16]2[CH:18]([OH:24])[N:22]=[C:17]([C:12]3=[CH:4][CH:2]=[CH:3][CH:5]=[C:14]3[F:20])[C:13]3=[C:15]([CH:7]=[CH:6][C:11]([Cl:19])=[CH:8]3)[N:23]12
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:145331
chebi:145331
ZYISITHKPKHPKG-UHFFFAOYSA-N 		4-hydroxymidazolam
4-OH midazolam
4-OH-MDZ
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-ol
Ro 21-5975

bigg.metabolite:4ohmdz
biggM:4ohmdz
ZYISITHKPKHPKG-UHFFFAOYSA-N 		4-OH-midazolam

vmhM:4ohmdz
vmhmetabolite:4ohmdz
ZYISITHKPKHPKG-UHFFFAOYSA-N 		4-OH-midazolam
12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaen-7-ol
hmdb:HMDB0061090
ZYISITHKPKHPKG-UHFFFAOYSA-N 		4-hydroxymidazolam
12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaen-7-ol
4-OH-MDZ

hmdb:HMDB61090
biggM:M_4ohmdz
vmhM:M_4ohmdz 		secondary/obsolete/fantasy identifier