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:31385 - Celiprolol hydrochloride
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Celiprolol hydrochloride
ChEBI ID
CHEBI:31385
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
C20H33N3O4.HCl
C20H34ClN3O4
Net Charge
0
Average Mass
415.955
Monoisotopic Mass
415.22378
InChI
InChI=1S/C20H33N3O4.ClH/c1-
7-
23(8-
2)
19(26)
22-
15-
9-
10-
18(17(11-
15)
14(3)
24)
27-
13-
16(25)
12-
21-
20(4,5)
6;/h9-
11,16,21,25H,7-
8,12-
13H2,1-
6H3,(H,22,26)
;1H
InChIKey
VKJHTUVLJYWAEY-UHFFFAOYSA-N
SMILES
C=1(C(=CC(NC(N(CC)CC)=O)=CC1)C(C)=O)OCC(CNC(C)(C)C)O.Cl
ChEBI Ontology
Outgoing
Celiprolol hydrochloride (
CHEBI:31385
)
is a
aromatic ketone (
CHEBI:76224
)
Synonym
Source
Celiprolol hydrochloride
KEGG COMPOUND
Manual Xref
Database
D01741
KEGG DRUG
View more database links
Registry Number
Type
Source
57470-78-7
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017