CHEBI:31931 - Olanexidine hydrochloride hydrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Olanexidine hydrochloride hydrate
ChEBI ID CHEBI:31931
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae 2C17H27Cl2N5.2HCl.H2O
C34H58Cl6N10O
Net Charge 0
Average Mass 835.610
Monoisotopic Mass 832.29262
InChI InChI=1S/2C17H27Cl2N5.2ClH.H2O/c2*1-2-3-4-5-6-7-10-22-16(20)24-17(21)23-12-13-8-9-14(18)15(19)11-13;;;/h2*8-9,11H,2-7,10,12H2,1H3,(H5,20,21,22,23,24);2*1H;1H2
InChIKey PMKCJSVTNJUCGR-UHFFFAOYSA-N
SMILES Cl.O.C1=C(C(=CC(=C1)CNC(NC(NCCCCCCCC)=N)=N)Cl)Cl.Cl.C1=C(C(=CC(=C1)CNC(NC(NCCCCCCCC)=N)=N)Cl)Cl
ChEBI Ontology
Outgoing Olanexidine hydrochloride hydrate (CHEBI:31931) is a dichlorobenzene (CHEBI:23697)
Synonym Source
Olanexidine hydrochloride hydrate KEGG COMPOUND
Manual Xref Database
D01857 KEGG DRUG
View more database links
Registry Number Type Source
218282-71-4 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017