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alpha-Hydroxyalprazolam

PropertiesImage
MNX_IDMNXM119736 Image of MNXM119736
referencechebi:192657
formulaC17H13ClN4O
global charge0
mol weight324.771
InChIKeyZURUZYHEEMDQBU-UHFFFAOYSA-N
InChIInChI=1S/C17H13ClN4O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)19-9-15-20-21-16(10-23)22(14)15/h1-8,23H,9-10H2
SMILESOCC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12
MNX internals
InChI (mnx)InChI=1/C17H13ClN4O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)19-9-15-20-21-16(10-23)22(14)15/h1-8,23H,9-10H2 Image of MNXM119736
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:11]([C:17]2=[N:19][CH2:9][C:15]3=[N:20][N:21]=[C:16]([CH2:10][OH:23])[N:22]3[C:14]3=[C:13]2[CH:8]=[C:12]([Cl:18])[CH:6]=[CH:7]3)[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:192657
chebi:192657
ZURUZYHEEMDQBU-UHFFFAOYSA-N 		alpha-Hydroxyalprazolam
(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol

vmhM:alpz_aoh
vmhmetabolite:alpz_aoh
ZURUZYHEEMDQBU-UHFFFAOYSA-N 		Alpha-Hydroxyalprazolam
{12-chloro-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaen-3-yl}methanol
hmdb:HMDB0013943
ZURUZYHEEMDQBU-UHFFFAOYSA-N 		Alpha-hydroxyalprazolam
a-Hydroxyalprazolam
alpha-Hydroxyalprazolam
alpha-hydroxyalprazolam
{12-chloro-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaen-3-yl}methanol

hmdb:HMDB0060572
hmdb:HMDB13943
hmdb:HMDB60572
vmhM:M_alpz_aoh 		secondary/obsolete/fantasy identifier