CHEBI:32008 - Pipethanate hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pipethanate hydrochloride
ChEBI ID CHEBI:32008
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C21H26ClNO3
C21H26NO3.Cl
Net Charge 0
Average Mass 375.890
Monoisotopic Mass 375.16012
InChI InChI=1S/C21H25NO3.ClH/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19;/h1-2,4-7,10-13,24H,3,8-9,14-17H2;1H
InChIKey ZJVKLBBPLUXEAC-UHFFFAOYSA-N
SMILES Cl.C1N(CCOC(C(C=2C=CC=CC2)(C=3C=CC=CC3)O)=O)CCCC1
ChEBI Ontology
Outgoing Pipethanate hydrochloride (CHEBI:32008) is a diarylmethane (CHEBI:51614)
Synonyms Sources
Piperilate hydrochloride KEGG COMPOUND
Pipethanate hydrochloride KEGG COMPOUND
Manual Xref Database
D01521 KEGG DRUG
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Registry Number Type Source
4544-15-4 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017