CHEBI:31419 - cloperastine fendizoate

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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 (Bronsted acid).
(via organic amino compound )
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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
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Registry Number Type Source
85187-37-7 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017