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Nor-ketotifen

PropertiesImage
MNX_IDMNXM158772 Image of MNXM158772
referencechebi:174806
formulaC18H17NOS
global charge0
mol weight295.407
InChIKeyIYSYPCSSDZBWHN-UHFFFAOYSA-N
InChIInChI=1S/C18H17NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,19H,5-6,8-9,11H2
SMILESO=C1CC2=C(C=CC=C2)C(=C2CCNCC2)C2=C1SC=C2
MNX internals
InChI (mnx)InChI=1/C18H17NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,19H,5-6,8-9,11H2 Image of MNXM158772
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:14]2[C:13](=[CH:3]1)[CH2:11][C:16](=[O:20])[C:18]1=[C:15]([CH:7]=[CH:10][S:21]1)[C:17]2=[C:12]1[CH2:5][CH2:8][NH:19][CH2:9][CH2:6]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:174806
chebi:174806
IYSYPCSSDZBWHN-UHFFFAOYSA-N 		Nor-ketotifen
2-piperidin-4-ylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
hmdb:HMDB0060646
IYSYPCSSDZBWHN-UHFFFAOYSA-N 		Nor-ketotifen
2-(piperidin-4-ylidene)-6-thiatricyclo[8.4.0.0³,⁷]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
Norketotifen

hmdb:HMDB60646 		secondary/obsolete/fantasy identifier