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> Main
CHEBI:31258 - Benexate hydrochloride
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ChEBI Ontology
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ChEBI Name
Benexate hydrochloride
ChEBI ID
CHEBI:31258
Stars
This entity has been manually annotated by a third party.
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Formula
C23H27N3O4.HCl
Net Charge
0
Average Mass
445.940
Monoisotopic Mass
445.17683
InChI
InChI=1S/C23H27N3O4.ClH/c24-
23(25)
26-
14-
16-
10-
12-
18(13-
11-
16)
21(27)
30-
20-
9-
5-
4-
8-
19(20)
22(28)
29-
15-
17-
6-
2-
1-
3-
7-
17;/h1-
9,16,18H,10-
15H2,(H4,24,25,26)
;1H/t16-
,18?;
InChIKey
ZNYYFCHDQJQKOK-JFFAAOMISA-N
SMILES
Cl.NC(=N)NC[C@H]1CCC(CC1)C(=O)Oc1ccccc1C(=O)OCc1ccccc1
ChEBI Ontology
Outgoing
Benexate hydrochloride (
CHEBI:31258
)
is a
organic molecular entity (
CHEBI:50860
)
Synonyms
Sources
benexate HCl
DrugCentral
benexate hydrochloride
DrugCentral
Benexate hydrochloride
KEGG COMPOUND
Manual Xrefs
Databases
3015
DrugCentral
C13182
KEGG COMPOUND
View more database links
Registry Number
Type
Source
78718-25-9
CAS Registry Number
KEGG COMPOUND
Last Modified
22 February 2017