Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:135364 - oxetorone
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
oxetorone
ChEBI ID
CHEBI:135364
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C21H21NO2
Net Charge
0
Average Mass
319.398
Monoisotopic Mass
319.15723
InChI
InChI=1S/C21H21NO2/c1-
22(2)
13-
7-
10-
17-
15-
8-
3-
5-
11-
19(15)
23-
14-
18-
16-
9-
4-
6-
12-
20(16)
24-
21(17)
18/h3-
6,8-
12H,7,13-
14H2,1-
2H3
InChIKey
VZVRZTZPHOHSCK-UHFFFAOYSA-N
SMILES
C(=C1C2=C(C3=C(O2)C=CC=C3)COC=4C1=CC=CC4)CCN(C)C
ChEBI Ontology
Outgoing
oxetorone (
CHEBI:135364
)
is a
oxacycle (
CHEBI:38104
)
Synonym
Source
oxetorone fumarate
DrugCentral
Manual Xref
Database
2019
DrugCentral
View more database links
Registry Number
Type
Source
26020-55-3
CAS Registry Number
DrugCentral
Last Modified
23 February 2017