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CHEBI:32231 - Tipepidine hibenzate

ChEBI IDCHEBI:32231
ChEBI NameTipepidine hibenzate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC14H10O4.C15H17NS2
Net Charge0
Average Mass517.672
Monoisotopic Mass517.13815
SMILESCN1CCCC(=C(c2cccs2)c2cccs2)C1.O=C(O)c1ccccc1C(=O)c1ccc(O)cc1
InChIInChI=1S/C15H17NS2.C14H10O4/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14;15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h3-4,6-7,9-10H,2,5,8,11H2,1H3;1-8,15H,(H,17,18)
InChIKeyKEEAAKGKVVTPOM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Tipepidine hibenzate (CHEBI:32231) is a benzophenones (CHEBI:22726)
Synonym  Source
Tipepidine hibenzateKEGG COMPOUND
Manual XrefsDatabases
D01495KEGG DRUG
Registry NumbersSources
CAS:31139-87-4KEGG COMPOUND