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2-Hydroxycarbamazepine

PropertiesImage
MNX_IDMNXM5471 Image of MNXM5471
referencechebi:80596
formulaC15H12N2O2
global charge0
mol weight252.273
InChIKeyVPZIYMMSJFWLSP-UHFFFAOYSA-N
InChIInChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)
SMILESNC(=O)N1C2=C(C=CC=C2)C=CC2=C1C=CC(O)=C2
MNX internals
InChI (mnx)InChI=1/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19) Image of MNXM5471
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:13]2[C:10](=[CH:3]1)[CH:5]=[CH:6][C:11]1=[CH:9][C:12]([OH:18])=[CH:7][CH:8]=[C:14]1[N:17]2[C:15](=[NH:16])[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd16405
seedM:cpd16405
CHEBI:80596
chebi:80596
kegg.compound:C16601
keggC:C16601
VPZIYMMSJFWLSP-UHFFFAOYSA-N 		2-Hydroxycarbamazepine
hmdb:HMDB0060651
VPZIYMMSJFWLSP-UHFFFAOYSA-N 		2-Hydroxycarbamazepine
(-)-N-Norcodeine
6-hydroxy-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide
N-Demethylcodeine
N-Desmethylcodeine
Norcodeina
Norcodeine hydrochloride
Norcodeinum

vmhM:2oh_cbz
vmhmetabolite:2oh_cbz
VPZIYMMSJFWLSP-UHFFFAOYSA-N 		2-Hydroxycarbamazepine
6-hydroxy-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide

envipath:...d3cbfe64b44f
envipathM:...d3cbfe64b44f
VPZIYMMSJFWLSP-UHFFFAOYSA-N 		compound 0042030

hmdb:HMDB60651
keggC:M_C16601
seedM:M_cpd16405
vmhM:M_2oh_cbz 		secondary/obsolete/fantasy identifier