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ChEBI
> Main
CHEBI:31419 - cloperastine fendizoate
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ChEBI Ontology
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ChEBI Name
cloperastine fendizoate
ChEBI ID
CHEBI:31419
Stars
This entity has been manually annotated by a third party.
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Formulae
C20H24ClNO.C20H14O4
C40H38ClNO5
Net Charge
0
Average Mass
648.188
Monoisotopic Mass
647.24385
InChI
InChI=1S/C20H24ClNO.C20H14O4/c21-
19-
11-
9-
18(10-
12-
19)
20(17-
7-
3-
1-
4-
8-
17)
23-
16-
15-
22-
13-
5-
2-
6-
14-
22;21-
18-
11-
10-
14(12-
17(18)
13-
6-
2-
1-
3-
7-
13)
19(22)
15-
8-
4-
5-
9-
16(15)
20(23)
24/h1,3-
4,7-
12,20H,2,5-
6,13-
16H2;1-
12,21H,(H,23,24)
InChIKey
PXZFKAKWSHBDCP-UHFFFAOYSA-N
SMILES
C=1C(=C(C=CC1)C(=O)C2=CC(=C(C=C2)O)C=3C=CC=CC3)C(=O)O.C(C=1C=CC=CC1)(C2=CC=C(C=C2)Cl)OCCN3CCCCC3
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cloperastine fendizoate (
CHEBI:31419
)
has functional parent
benzoate (
CHEBI:16150
)
cloperastine fendizoate (
CHEBI:31419
)
is a
N
-oxyethylpiperidine (
CHEBI:48737
)
Synonym
Source
cloperastine fendizoate
KEGG DRUG
Brand Name
Source
Hustazol
KEGG DRUG
Manual Xref
Database
D01569
KEGG DRUG
View more database links
Registry Number
Type
Source
85187-37-7
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017