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
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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
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Registry Number Type Source
30081478 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
27256986 PubMed citation Europe PMC
28600384 PubMed citation SUBMITTER
Last Modified
07 March 2018