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CHEBI:177605 - Samidorphan

ChEBI IDCHEBI:177605
ChEBI NameSamidorphan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26N2O4
Net Charge0
Average Mass370.449
Monoisotopic Mass370.18926
SMILES[H][C@]12Cc3ccc(C(N)=O)c(O)c3[C@@]3(CCN1CC1CC1)CC(=O)CC[C@]32O
InChIInChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1
InChIKeyRYIDHLJADOKWFM-MAODMQOUSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
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)
Samidorphan (CHEBI:177605) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
Manual XrefsDatabases
DB12543DrugBank
23259667ChemSpider
D10162KEGG DRUG
Registry NumbersSources
CAS:852626-89-2ChemIDplus