CHEBI:6719 - Mefloquine hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mefloquine hydrochloride
ChEBI ID CHEBI:6719
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C17H16F6N2O.HCl
C17H17ClF6N2O
Net Charge 0
Average Mass 414.774
Monoisotopic Mass 414.09336
InChI InChI=1S/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;/h3-5,8,12,15,24,26H,1-2,6-7H2;1H/t12-,15+;/m1./s1
InChIKey WESWYMRNZNDGBX-YLCXCWDSSA-N
SMILES C12=C(C(=CC(=N1)C(F)(F)F)[C@@H]([C@]3(CCCCN3)[H])O)C=CC=C2C(F)(F)F.Cl
ChEBI Ontology
Outgoing Mefloquine hydrochloride (CHEBI:6719) is a hydrochloride (CHEBI:36807)
Synonyms Sources
Lariam KEGG COMPOUND
Mefloquine hydrochloride KEGG COMPOUND
Manual Xref Database
D00831 KEGG DRUG
View more database links
Registry Number Type Source
51773-92-3 CAS Registry Number KEGG COMPOUND
Last Modified
25 April 2017