CHEBI:136007 - methylnaltrexone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methylnaltrexone
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H26NO4
Net Charge +1
Average Mass 356.436
Monoisotopic Mass 356.18563
InChI InChI=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
SMILES O[C@]12[C@@]34C=5C(O[C@]3(C(CC1)=O)[H])=C(O)C=CC5C[C@]2([N+](CC4)(CC6CC6)C)[H]
Roles Classification
Biological Role(s): 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.
(via phenanthrenes )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing methylnaltrexone (CHEBI:136007) is a phenanthrenes (CHEBI:25961)
Synonyms Sources
methylnaltrexone bromide DrugCentral
methylnaltrexonium DrugCentral
relistor DrugCentral
Manual Xref Database
4616 DrugCentral
View more database links
Registry Number Type Source
83387-25-1 CAS Registry Number DrugCentral
Last Modified
23 February 2017