MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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ditazole

	Properties	Image
MNX_ID	MNXM51304
reference	chebi:135383
formula	C₁₉H₂₀N₂O₃
global charge	0
mol weight	324.38
InChIKey	UUCMDZWCRNZCOY-UHFFFAOYSA-N
InChI	InChI=1S/C19H20N2O3/c22-13-11-21(12-14-23)19-20-17(15-7-3-1-4-8-15)18(24-19)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2
SMILES	OCCN(CCO)C1=NC(C2=CC=CC=C2)=C(C2=CC=CC=C2)O1

MNX internals

InChI (mnx)	InChI=1/C19H20N2O3/c22-13-11-21(12-14-23)19-20-17(15-7-3-1-4-8-15)18(24-19)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2
SMILES (mnx)	[CH:1]1=[CH:3][CH:7]=[C:15]([C:17]2=[C:18]([C:16]3=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]3)[O:24][C:19]([N:21]([CH2:11][CH2:13][OH:22])[CH2:12][CH2:14][OH:23])=[N:20]2)[CH:8]=[CH:4]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
Identifier	Description
CHEBI:135383 chebi:135383 UUCMDZWCRNZCOY-UHFFFAOYSA-N	ditazole ageroplas diethylphenazol ditazol
kegg.drug:D07138 keggD:D07138 UUCMDZWCRNZCOY-UHFFFAOYSA-N	Ditazole (INN)
hmdb:HMDB0251487 UUCMDZWCRNZCOY-UHFFFAOYSA-N	Ditazole 2-[(diphenyl-1,3-oxazol-2-yl)(2-hydroxyethyl)amino]ethan-1-ol Ditazol S-222DITAZOLE ditazole
keggD:M_D07138	secondary/obsolete/fantasy identifier