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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:135686 - alvimopan
Main
ChEBI Ontology
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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 (Br
o
nsted 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