pifithrin-? (CHEBI:229924)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	pifithrin-?

ChEBI ID	CHEBI:229924

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H18N2OS.BrH

Net Charge

Average Mass

367.310

Monoisotopic Mass

366.04015

InChI

InChI=1S/C16H18N2OS.BrH/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17;/h6-9,17H,2-5,10H2,1H3;1H

InChIKey

HAGVCKULCLQGRF-UHFFFAOYSA-N

SMILES

Br.S1C2=C(N(CC(=O)C3=CC=C(C=C3)C)C1=N)CCCC2

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	pifithrin-? (CHEBI:229924) is a aromatic ketone (CHEBI:76224)

IUPAC Name

2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone;hydrobromide