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CHEBI:136007 - methylnaltrexone

ChEBI IDCHEBI:136007
ChEBI Namemethylnaltrexone
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC21H26NO4
Net Charge+1
Average Mass356.442
Monoisotopic Mass356.18563
SMILES[H][C@@]12Oc3c(O)ccc4c3[C@@]13CC[N+](C)(CC1CC1)[C@]([H])(C4)[C@]3(O)CCC2=O
InChIInChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1
InChIKeyJVLBPIPGETUEET-GAAHOAFPSA-O
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
methylnaltrexone (CHEBI:136007) is a phenanthrenes (CHEBI:25961)
Synonyms  Source
relistorDrugCentral
methylnaltrexoniumDrugCentral
methylnaltrexone bromideDrugCentral
Manual XrefsDatabases
4616DrugCentral
Registry NumbersSources
CAS:83387-25-1DrugCentral