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CHEBI:31352 - Carbetapentane citrate

Default Structure
ChEBI IDCHEBI:31352
ChEBI NameCarbetapentane citrate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC20H31NO3.C6H8O7
Net Charge0
Average Mass525.595
Monoisotopic Mass525.25740
SMILESCCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C20H31NO3.C6H8O7/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyAKJDEXBCRLOVTH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Carbetapentane citrate (CHEBI:31352) is a carbonyl compound (CHEBI:36586)
Synonyms  Source
Carbetapentane citrateKEGG COMPOUND
Pentoxyverine citrateKEGG COMPOUND
Manual XrefsDatabases
D01260KEGG DRUG
Registry NumbersSources
CAS:23142-01-0KEGG COMPOUND