CHEBI:135686 - alvimopan

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ChEBI Name alvimopan
ChEBI ID CHEBI:135686
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H32N2O4
Net Charge 0
Average Mass 424.534
Monoisotopic Mass 424.23621
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
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
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing alvimopan (CHEBI:135686) is a peptide (CHEBI:16670)
Synonyms Sources
alvimopan anhydrous DrugCentral
alvimopan dihydrate DrugCentral
entereg DrugCentral
LY-246736 DrugCentral
LY246736 DrugCentral
Manual Xrefs Databases
143 DrugCentral
HMDB0015631 HMDB
View more database links
Registry Number Type Source
156053-89-3 CAS Registry Number DrugCentral
Last Modified
23 February 2017