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:82461 - Doxylamine succinate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Doxylamine succinate
ChEBI ID
CHEBI:82461
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
C21H28N2O5
Net Charge
0
Average Mass
388.45740
Monoisotopic Mass
388.19982
InChI
InChI=1S/C17H22N2O.C4H6O4/c1-
17(20-
14-
13-
19(2)
3,15-
9-
5-
4-
6-
10-
15)
16-
11-
7-
8-
12-
18-
16;5-
3(6)
1-
2-
4(7)
8/h4-
12H,13-
14H2,1-
3H3;1-
2H2,(H,5,6)
(H,7,8)
InChIKey
KBAUFVUYFNWQFM-UHFFFAOYSA-N
SMILES
OC(=O)CCC(O)=O.CN(C)CCOC(C)(c1ccccc1)c1ccccn1
ChEBI Ontology
Outgoing
Doxylamine succinate (
CHEBI:82461
)
is a
organic molecular entity (
CHEBI:50860
)
Manual Xrefs
Databases
C19414
KEGG COMPOUND
D02327
KEGG DRUG
View more database links
Registry Number
Type
Source
562-10-7
CAS Registry Number
KEGG COMPOUND