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loading...| Preferred Name |
methylnaltrexone |
|
| Synonyms |
methylnaltrexone bromide methylnaltrexonium relistor |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_136007 |
|
| charge |
+1 |
|
| database_cross_reference |
Drug_Central:4616 CAS:83387-25-1 |
|
| formula |
C21H26NO4 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
methylnaltrexone bromide methylnaltrexonium relistor |
|
| id |
CHEBI:136007 |
|
| in_subset | ||
| 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 |
|
| inchikey |
JVLBPIPGETUEET-GAAHOAFPSA-O |
|
| label |
methylnaltrexone |
|
| mass |
356.436 |
|
| monoisotopicmass |
356.18563 |
|
| notation |
CHEBI:136007 |
|
| prefLabel |
methylnaltrexone |
|
| 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] |
|
| subClassOf |
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