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> Main
CHEBI:139019 - AZD1979 oxetane hydrolysis product
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ChEBI Name
AZD1979 oxetane hydrolysis product
ChEBI ID
CHEBI:139019
Definition
A diol resulting from hydrolysis of the oxetane ring of AZD1979.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Molfile
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Molfile
Formula
C25H28N4O6
Net Charge
0
Average Mass
480.514
Monoisotopic Mass
480.20088
InChI
InChI=1S/C25H28N4O6/c1-
33-
19-
8-
4-
18(5-
9-
19)
22-
26-
27-
23(35-
22)
24(32)
29-
11-
21(12-
29)
34-
20-
6-
2-
17(3-
7-
20)
10-
28-
13-
25(14-
28,15-
30)
16-
31/h2-
9,21,30-
31H,10-
16H2,1H3
InChIKey
OTFLAJNTHVWZOG-UHFFFAOYSA-N
SMILES
C1(CN(C1)C(C=2OC(=NN2)C3=CC=C(C=C3)OC)=O)OC4=CC=C(C=C4)CN5CC(C5)(CO)CO
ChEBI Ontology
Outgoing
AZD1979 oxetane hydrolysis product (
CHEBI:139019
)
has functional parent
AZD1979 (
CHEBI:139154
)
AZD1979 oxetane hydrolysis product (
CHEBI:139019
)
is a
N
-acylazetidine (
CHEBI:46959
)
AZD1979 oxetane hydrolysis product (
CHEBI:139019
)
is a
aromatic ether (
CHEBI:35618
)
AZD1979 oxetane hydrolysis product (
CHEBI:139019
)
is a
diol (
CHEBI:23824
)
AZD1979 oxetane hydrolysis product (
CHEBI:139019
)
is a
oxadiazole (
CHEBI:46685
)
AZD1979 oxetane hydrolysis product (
CHEBI:139019
)
is a
tertiary carboxamide (
CHEBI:140326
)
IUPAC Name
[3-
(4-
{[3,3-
bis(hydroxymethyl)azetidin-
1-
yl]methyl}phenoxy)azetidin-
1-
yl][5-
(4-
methoxyphenyl)-
1,3,4-
oxadiazol-
2-
yl]methanone
Synonyms
Sources
[3-
(hydroxymethyl)-
1-
{[4-
({1-
[5-
(4-
methoxyphenyl)-
1,3,4-
oxadiazole-
2-
carbonyl]azetidin-
3-
yl}oxy)phenyl]methyl}azetidin-
3-
yl]methanol
MetaCyc
AZD1979 oxetane hydrolysis product
UniProt
M1
MetaCyc
Manual Xref
Database
CPD-20319
MetaCyc
View more database links
Registry Number
Type
Source
30081478
Reaxys Registry Number
Reaxys
Citations
Types
Sources
27256986
PubMed citation
Europe PMC
28600384
PubMed citation
SUBMITTER
Last Modified
07 March 2018