CHEBI:31258 - Benexate hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Benexate hydrochloride
ChEBI ID CHEBI:31258
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H27N3O4.HCl
Net Charge 0
Average Mass 445.940
Monoisotopic Mass 445.17683
InChI InChI=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?;
InChIKey ZNYYFCHDQJQKOK-JFFAAOMISA-N
SMILES Cl.NC(=N)NC[C@H]1CCC(CC1)C(=O)Oc1ccccc1C(=O)OCc1ccccc1
ChEBI Ontology
Outgoing Benexate hydrochloride (CHEBI:31258) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
benexate HCl DrugCentral
benexate hydrochloride DrugCentral
Benexate hydrochloride KEGG COMPOUND
Manual Xrefs Databases
3015 DrugCentral
C13182 KEGG COMPOUND
View more database links
Registry Number Type Source
78718-25-9 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017