Preferred Name |
alvimopan |
|
Synonyms |
LY246736 entereg alvimopan dihydrate alvimopan anhydrous LY-246736 |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_135686 |
|
charge |
0 |
|
database_cross_reference |
CAS:156053-89-3 Drug_Central:143 HMDB:HMDB0015631 |
|
formula |
C25H32N2O4 |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
LY246736 entereg alvimopan dihydrate alvimopan anhydrous LY-246736 |
|
id |
CHEBI:135686 |
|
in_subset | ||
inchi |
InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1 |
|
inchikey |
UPNUIXSCZBYVBB-JVFUWBCBSA-N |
|
label |
alvimopan |
|
mass |
424.534 |
|
monoisotopicmass |
424.23621 |
|
notation |
CHEBI:135686 |
|
prefLabel |
alvimopan |
|
smiles |
C[C@@]1([C@@H](C)CN(CC1)C[C@H](CC2=CC=CC=C2)C(NCC(O)=O)=O)C3=CC(O)=CC=C3 |
|
treeView | ||
subClassOf |
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