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:8066 - phenindione
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
phenindione
ChEBI ID
CHEBI:8066
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C15H10O2
Net Charge
0
Average Mass
222.23870
Monoisotopic Mass
222.06808
InChI
InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
InChIKey
NFBAXHOPROOJAW-UHFFFAOYSA-N
SMILES
O=C1C(C(=O)c2ccccc12)c1ccccc1
Roles Classification
Application
(s):
anticoagulant
An agent that prevents blood clotting.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
phenindione (
CHEBI:8066
)
has parent hydride
indane (
CHEBI:37911
)
phenindione (
CHEBI:8066
)
has role
anticoagulant (
CHEBI:50249
)
phenindione (
CHEBI:8066
)
is a
β-diketone (
CHEBI:67265
)
phenindione (
CHEBI:8066
)
is a
aromatic ketone (
CHEBI:76224
)
IUPAC Name
2-phenyl-1
H
-indene-1,3(2
H
)-dione
INNs
Sources
fenindiona
ChemIDplus
phenindione
ChemIDplus
phénindione
ChEBI
phenindionum
ChemIDplus
Synonyms
Sources
2-phenyl-1,3(2
H
)-Indenedione
NIST Chemistry WebBook
2-phenyl-1,3-diketohydrindene
NIST Chemistry WebBook
2-Phenyl-1,3-indandione
KEGG COMPOUND
Phenindione
KEGG COMPOUND
PID
ChemIDplus
Manual Xrefs
Databases
2130
DrugCentral
C07584
KEGG COMPOUND
D08354
KEGG DRUG
DB00498
DrugBank
LSM-5784
LINCS
Phenindione
Wikipedia
View more database links
Registry Numbers
Types
Sources
1911699
Beilstein Registry Number
Beilstein
83-12-5
CAS Registry Number
ChemIDplus
83-12-5
CAS Registry Number
NIST Chemistry WebBook
Last Modified
22 February 2017