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CHEBI:32189 - Temiverine hydrochloride hydrate

ChEBI IDCHEBI:32189
ChEBI NameTemiverine hydrochloride hydrate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC24H35NO3.H2O.HCl
Net Charge0
Average Mass440.024
Monoisotopic Mass439.24894
SMILESCCN(CC)CC#CC(C)(C)OC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl.O
InChIInChI=1S/C24H35NO3.ClH.H2O/c1-5-25(6-2)19-13-18-23(3,4)28-22(26)24(27,20-14-9-7-10-15-20)21-16-11-8-12-17-21;;/h7,9-10,14-15,21,27H,5-6,8,11-12,16-17,19H2,1-4H3;1H;1H2
InChIKeyFERSVTRMSSXKOL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Temiverine hydrochloride hydrate (CHEBI:32189) is a benzenes (CHEBI:22712)
Synonyms  Source
Temiverine hydrochloride hydrateKEGG COMPOUND
Urespan (TN)KEGG COMPOUND
Manual XrefsDatabases
D01926KEGG DRUG
Registry NumbersSources
CAS:791115-04-3KEGG COMPOUND