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:59175 - bromfenac(1−)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
bromfenac(1−)
ChEBI ID
CHEBI:59175
ChEBI ASCII Name
bromfenac(1-)
Definition
The anion formed by deprotonating bromfenac at the carboxyl proton.
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
Formula
C15H11BrNO3
Net Charge
-1
Average Mass
333.15700
Monoisotopic Mass
331.99278
InChI
InChI=1S/C15H12BrNO3/c16-
11-
6-
4-
9(5-
7-
11)
15(20)
12-
3-
1-
2-
10(14(12)
17)
8-
13(18)
19/h1-
7H,8,17H2,(H,18,19)
/p-
1
InChIKey
ZBPLOVFIXSTCRZ-UHFFFAOYSA-M
SMILES
Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Br)cc1
ChEBI Ontology
Outgoing
bromfenac(1−) (
CHEBI:59175
)
is a
aromatic amino-acid anion (
CHEBI:63473
)
bromfenac(1−) (
CHEBI:59175
)
is a
benzophenones (
CHEBI:22726
)
bromfenac(1−) (
CHEBI:59175
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
bromfenac(1−) (
CHEBI:59175
)
is a
organobromine compound (
CHEBI:37141
)
bromfenac(1−) (
CHEBI:59175
)
is conjugate base of
bromfenac (
CHEBI:240107
)
Incoming
bromfenac sodium salt (
CHEBI:140536
)
has part
bromfenac(1−) (
CHEBI:59175
)
bromfenac (
CHEBI:240107
)
is conjugate acid of
bromfenac(1−) (
CHEBI:59175
)
IUPAC Name
[2-amino-3-(4-bromobenzoyl)phenyl]acetate
Synonym
Source
2-amino-3-(4-bromobenzoyl)benzeneacetate
ChEBI
Registry Number
Type
Source
5977197
Beilstein Registry Number
Beilstein
Last Modified
31 January 2012