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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:134715 - trelagliptin
Main
ChEBI Ontology
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ChEBI Name
trelagliptin
ChEBI ID
CHEBI:134715
Stars
This entity has been manually annotated by a third party.
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Formula
C18H20FN5O2
Net Charge
0
Average Mass
357.383
Monoisotopic Mass
357.16010
InChI
InChI=1S/C18H20FN5O2/c1-
22-
17(25)
8-
16(23-
6-
2-
3-
15(21)
11-
23)
24(18(22)
26)
10-
13-
7-
14(19)
5-
4-
12(13)
9-
20/h4-
5,7-
8,15H,2-
3,6,10-
11,21H2,1H3/t15-
/m1/s1
InChIKey
IWYJYHUNXVAVAA-OAHLLOKOSA-N
SMILES
C1(=CC=C(C=C1CN2C(N(C(C=C2N3CCC[C@H](C3)N)=O)C)=O)F)C#N
ChEBI Ontology
Outgoing
trelagliptin (
CHEBI:134715
)
is a
benzenes (
CHEBI:22712
)
trelagliptin (
CHEBI:134715
)
is a
nitrile (
CHEBI:18379
)
Synonyms
Sources
SYR-472
DrugCentral
SYR111472
DrugCentral
trelagliptin succinate
DrugCentral
zafatek
DrugCentral
Manual Xref
Database
5013
DrugCentral
View more database links
Registry Number
Type
Source
865759-25-7
CAS Registry Number
DrugCentral
Last Modified
23 February 2017