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:31514 - Domiphen bromide
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Domiphen bromide
ChEBI ID
CHEBI:31514
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
Formulae
C22H40BrNO
C22H40NO.Br
Net Charge
0
Average Mass
414.463
Monoisotopic Mass
413.22933
InChI
InChI=1S/C22H40NO.BrH/c1-
4-
5-
6-
7-
8-
9-
10-
11-
12-
16-
19-
23(2,3)
20-
21-
24-
22-
17-
14-
13-
15-
18-
22;/h13-
15,17-
18H,4-
12,16,19-
21H2,1-
3H3;1H/q+1;/p-
1
InChIKey
OJIYIVCMRYCWSE-UHFFFAOYSA-M
SMILES
C=1C=CC(OCC[N+](C)(C)CCCCCCCCCCCC)=CC1.[Br-]
ChEBI Ontology
Outgoing
Domiphen bromide (
CHEBI:31514
)
is a
aromatic ether (
CHEBI:35618
)
Synonym
Source
Domiphen bromide
KEGG COMPOUND
Manual Xref
Database
D01588
KEGG DRUG
View more database links
Registry Number
Type
Source
538-71-6
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017