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ChEBI
> Main
CHEBI:90949 - osimertinib(1+)
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ChEBI Ontology
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ChEBI Name
osimertinib(1+)
ChEBI ID
CHEBI:90949
Definition
An organic cation obtained by protonation of osimertinib.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C28H34N7O2
Net Charge
+1
Average Mass
500.616
Monoisotopic Mass
500.27685
InChI
InChI=1S/C28H33N7O2/c1-
7-
27(36)
30-
22-
16-
23(26(37-
6)
17-
25(22)
34(4)
15-
14-
33(2)
3)
32-
28-
29-
13-
12-
21(31-
28)
20-
18-
35(5)
24-
11-
9-
8-
10-
19(20)
24/h7-
13,16-
18H,1,14-
15H2,2-
6H3,(H,30,36)
(H,29,31,32)
/p+1
InChIKey
DUYJMQONPNNFPI-UHFFFAOYSA-O
SMILES
CN1C=2C(C(C3=NC(NC4=C(OC)C=C(C(=C4)NC(C=C)=O)N(CCN(C)C)C)=NC=C3)=C1)=CC=CC2.[H+]
ChEBI Ontology
Outgoing
osimertinib(1+) (
CHEBI:90949
)
is a
ammonium ion derivative (
CHEBI:35274
)
osimertinib(1+) (
CHEBI:90949
)
is a
organic cation (
CHEBI:25697
)
osimertinib(1+) (
CHEBI:90949
)
is conjugate acid of
osimertinib (
CHEBI:90943
)
Incoming
osimertinib mesylate (
CHEBI:90948
)
has part
osimertinib(1+) (
CHEBI:90949
)
osimertinib (
CHEBI:90943
)
is conjugate base of
osimertinib(1+) (
CHEBI:90949
)
Synonym
Source
osimertinib cation
ChEBI
Last Modified
25 September 2018