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:4711 - Doxepin Hydrochloride
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Doxepin Hydrochloride
ChEBI ID
CHEBI:4711
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
C19H21NO.HCl
C19H22ClNO
Net Charge
0
Average Mass
315.838
Monoisotopic Mass
315.13899
InChI
InChI=1S/C19H21NO.ClH/c1-
20(2)
13-
7-
11-
17-
16-
9-
4-
3-
8-
15(16)
14-
21-
19-
12-
6-
5-
10-
18(17)
19;/h3-
6,8-
12H,7,13-
14H2,1-
2H3;1H/b17-
11+;
InChIKey
MHNSPTUQQIYJOT-SJDTYFKWSA-N
SMILES
Cl.C1OC=2C(\C(\C=3C1=CC=CC3)=C\CCN(C)C)=CC=CC2
ChEBI Ontology
Outgoing
Doxepin Hydrochloride (
CHEBI:4711
)
is a
dibenzooxazepine (
CHEBI:53802
)
Synonyms
Sources
Doxepin Hydrochloride
KEGG COMPOUND
Sinequan
KEGG COMPOUND
Manual Xref
Database
D00814
KEGG DRUG
View more database links
Registry Number
Type
Source
1229-29-4
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017