loading...| Preferred Name |
naloxegol |
|
| Synonyms |
NKTR 118 NKTR-118 NKTR118 naloxegol |
|
| Definitions |
An organic heteropentacyclic compound that is naloxone in which the keto group is replaced by a PEG moiety. Used for treatment of opioid-induced constipation. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_82975 |
|
| charge |
0 |
|
| database_cross_reference |
Wikipedia:Naloxegol PMID:24238792 PMID:24945932 Reaxys:14435712 PMID:25220391 Drug_Central:4832 PMID:24896818 PMID:25209526 PMID:25112584 PMID:24946021 PMID:23726675 CAS:854601-70-0 PMID:25278772 KEGG:D10479 |
|
| definition |
An organic heteropentacyclic compound that is naloxone in which the keto group is replaced by a PEG moiety. Used for treatment of opioid-induced constipation. |
|
| formula |
C34H53NO11 |
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_parent_hydride | ||
| has_related_synonym |
NKTR 118 NKTR-118 NKTR118 naloxegol |
|
| id |
CHEBI:82975 |
|
| in_subset | ||
| inchi |
InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29+,32-,33-,34+/m0/s1 |
|
| inchikey |
XNKCCCKFOQNXKV-ZRSCBOBOSA-N |
|
| label |
naloxegol |
|
| mass |
651.78470 |
|
| monoisotopicmass |
651.36186 |
|
| notation |
CHEBI:82975 |
|
| prefLabel |
naloxegol |
|
| RO_0000087 | ||
| smiles |
COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_38164 http://purl.obolibrary.org/obo/CHEBI_33853 |