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diphenhydramine hydrochloride

PropertiesImage
MNX_IDMNXM155468 Image of MNXM155468
referencechebi:4637
formulaC17H22ClNO
global charge0
mol weight291.822
InChIKeyPCHPORCSPXIHLZ-UHFFFAOYSA-N
InChIInChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H
SMILESC[NH+](C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1.[Cl-]
MNX internals
InChI (mnx)InChI=1/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H Image of MNXM155468
SMILES (mnx)[CH3:1][N:18]([CH3:2])[CH2:13][CH2:14][O:19][CH:17]([C:15]1=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]1)[C:16]1=[CH:11][CH:7]=[CH:4][CH:8]=[CH:12]1.[ClH:20]
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:4637
chebi:4637
PCHPORCSPXIHLZ-UHFFFAOYSA-N 		diphenhydramine hydrochloride
2-(benzhydryloxy)-N,N-dimethylethylamine hydrochloride
2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride
2-(diphenylmethoxy)-N,N-dimethylethanaminium chloride
alpha-hydroxydiphenylmethane-beta-dimethylaminoethyl ether hydrochloride
beta-dimethylaminoethyl benzhydryl ether hydrochloride
diphenhydramine HCl

seed.compound:cpd19086
seedM:cpd19086
kegg.compound:C07784
keggC:C07784
PCHPORCSPXIHLZ-UHFFFAOYSA-N 		Diphenhydramine hydrochloride

kegg.drug:D00669
keggD:D00669
PCHPORCSPXIHLZ-UHFFFAOYSA-N 		Diphenhydramine hydrochloride (JP18/USP)
Benadryl (TN)

envipath:...71d3e1a84a35
envipathM:...71d3e1a84a35
PCHPORCSPXIHLZ-UHFFFAOYSA-M 		compound 0051829

envipath:...c467394709c2
envipathM:...c467394709c2
PCHPORCSPXIHLZ-UHFFFAOYSA-N 		compound 0052808

keggC:M_C07784
keggD:M_D00669
seedM:M_cpd19086 		secondary/obsolete/fantasy identifier