CHEBI:135861 - bunamiodyl

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ChEBI Name bunamiodyl
ChEBI ID CHEBI:135861
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H16I3NO3
Net Charge 0
Average Mass 639.006
Monoisotopic Mass 638.82643
InChI InChI=1S/C15H16I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h6-7H,3-5H2,1-2H3,(H,19,20)(H,21,22)/b8-6+
InChIKey CWRBDUIQDIHWJZ-SOFGYWHQSA-N
SMILES C=1(C=C(C(=C(C1/C=C(/C(O)=O)\CC)I)NC(=O)CCC)I)I
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing bunamiodyl (CHEBI:135861) is a cinnamic acids (CHEBI:23252)
Synonym Source
buniodyl DrugCentral
Manual Xref Database
3048 DrugCentral
View more database links
Registry Number Type Source
1233-53-0 CAS Registry Number DrugCentral
Last Modified
23 February 2017