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ChEBI
> Main
CHEBI:31246 - Azasetron hydrochloride
Main
ChEBI Ontology
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ChEBI Name
Azasetron hydrochloride
ChEBI ID
CHEBI:31246
Stars
This entity has been manually annotated by a third party.
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Formulae
C17H20ClN3O3.HCl
C17H21Cl2N3O3
Net Charge
0
Average Mass
386.273
Monoisotopic Mass
385.09600
InChI
InChI=1S/C17H20ClN3O3.ClH/c1-
20-
14-
7-
11(18)
6-
12(16(14)
24-
9-
15(20)
22)
17(23)
19-
13-
8-
21-
4-
2-
10(13)
3-
5-
21;/h6-
7,10,13H,2-
5,8-
9H2,1H3,(H,19,23)
;1H
InChIKey
DBMKBKPJYAHLQP-UHFFFAOYSA-N
SMILES
Cl.C1(NC(C=2C=3OCC(N(C3C=C(C2)Cl)C)=O)=O)CN4CCC1CC4
ChEBI Ontology
Outgoing
Azasetron hydrochloride (
CHEBI:31246
)
is a
benzoxazine (
CHEBI:46969
)
Synonym
Source
Azasetron hydrochloride
KEGG COMPOUND
Manual Xref
Database
D01613
KEGG DRUG
View more database links
Registry Number
Type
Source
123040-16-4
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017