CHEBI:31352 - Carbetapentane citrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Carbetapentane citrate
ChEBI ID CHEBI:31352
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C20H31NO3.C6H8O7
C26H39NO10
Net Charge 0
Average Mass 525.590
Monoisotopic Mass 525.25740
InChI InChI=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)
InChIKey AKJDEXBCRLOVTH-UHFFFAOYSA-N
SMILES C1=C(C=CC=C1)C2(CCCC2)C(OCCOCCN(CC)CC)=O.C(CC(O)=O)(CC(O)=O)(C(O)=O)O
ChEBI Ontology
Outgoing Carbetapentane citrate (CHEBI:31352) is a carbonyl compound (CHEBI:36586)
Synonyms Sources
Carbetapentane citrate KEGG COMPOUND
Pentoxyverine citrate KEGG COMPOUND
Manual Xref Database
D01260 KEGG DRUG
View more database links
Registry Number Type Source
23142-01-0 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017