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8-hydroxymirtazapine

PropertiesImage
MNX_IDMNXM151602 Image of MNXM151602
referencechebi:143429
formulaC17H19N3O
global charge0
mol weight281.359
InChIKeyDAWYIZBOUQIVNX-INIZCTEOSA-N
InChIInChI=1S/C17H19N3O/c1-19-6-7-20-16(11-19)15-5-3-2-4-12(15)8-13-9-14(21)10-18-17(13)20/h2-5,9-10,16,21H,6-8,11H2,1H3/t16-/m0/s1
SMILESCN1CCN2C3=NC=C(O)C=C3CC3=C(C=CC=C3)[C@@H]2C1
MNX internals
InChI (mnx)InChI=1/C17H19N3O/c1-19-6-7-20-16(11-19)15-5-3-2-4-12(15)8-13-9-14(21)10-18-17(13)20/h2-5,9-10,16,21H,6-8,11H2,1H3/t16-/m0/s1 Image of MNXM151602
SMILES (mnx)[CH3:1][N:19]1[CH2:6][CH2:7][N:20]2[C@@H:16]([CH2:11]1)[C:15]1=[CH:5][CH:3]=[CH:2][CH:4]=[C:12]1[CH2:8][C:13]1=[C:17]2[N:18]=[CH:10][C:14]([OH:21])=[CH:9]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:143429
chebi:143429
DAWYIZBOUQIVNX-INIZCTEOSA-N
8-hydroxymirtazapine
hmdb:HMDB0060957
DAWYIZBOUQIVNX-UHFFFAOYSA-N
8-hydroxymirtazapine
5-methyl-2,5,19-triazatetracyclo[13.4.0.0²,⁷.0⁸,¹³]nonadeca-1(19),8,10,12,15,17-hexaen-17-ol

hmdb:HMDB60957
secondary/obsolete/fantasy identifier