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CHEBI:31258 - Benexate hydrochloride

Default Structure
ChEBI IDCHEBI:31258
ChEBI NameBenexate hydrochloride
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC23H27N3O4.HCl
Net Charge0
Average Mass445.947
Monoisotopic Mass445.17683
SMILESCl.N=C(N)NCC1CCC(C(=O)Oc2ccccc2C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H27N3O4.ClH/c24-23(25)26-14-16-10-12-18(13-11-16)21(27)30-20-9-5-4-8-19(20)22(28)29-15-17-6-2-1-3-7-17;/h1-9,16,18H,10-15H2,(H4,24,25,26);1H/t16-,18?;
InChIKeyZNYYFCHDQJQKOK-JFFAAOMISA-N
ChEBI Ontology
Outgoing Relation(s)
Benexate hydrochloride (CHEBI:31258) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
benexate HClDrugCentral
benexate hydrochlorideDrugCentral
Benexate hydrochlorideKEGG COMPOUND
Manual XrefsDatabases
3015DrugCentral
C13182KEGG COMPOUND
Registry NumbersSources
CAS:78718-25-9KEGG COMPOUND