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CHEBI:135795 - loperamide oxide

ChEBI IDCHEBI:135795
ChEBI Nameloperamide oxide
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Last Modified23 February 2017
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FormulaC29H33ClN2O3
Net Charge0
Average Mass493.047
Monoisotopic Mass492.21797
SMILESCN(C)C(=O)C(CC[N@+]1([O-])CC[C@@](O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33ClN2O3/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32(35)20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3/t28-,32-
InChIKeyKXVSBTJVTUVNPM-UKPNQBOSSA-N
ChEBI Ontology
Outgoing Relation(s)
loperamide oxide (CHEBI:135795) is a diarylmethane (CHEBI:51614)
Synonyms  Source
loperamide oxide monohydrateDrugCentral
arestalDrugCentral
Manual XrefsDatabases
1600DrugCentral
Registry NumbersSources
CAS:106900-12-3DrugCentral