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

http://purl.obolibrary.org/obo/chebi#2_STAR

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

http://purl.obolibrary.org/obo/CHEBI_16670

subClassOf

http://purl.obolibrary.org/obo/CHEBI_16670

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