CHEBI:2664 - Amiodarone hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Amiodarone hydrochloride
ChEBI ID CHEBI:2664
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C25H29I2NO3.HCl
C25H30ClI2NO3
Net Charge 0
Average Mass 681.773
Monoisotopic Mass 681.00036
InChI InChI=1S/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H
InChIKey ITPDYQOUSLNIHG-UHFFFAOYSA-N
SMILES Cl.C1=CC=C2C(=C1)C(=C(O2)CCCC)C(C3=CC(=C(C(=C3)I)OCCN(CC)CC)I)=O
ChEBI Ontology
Outgoing Amiodarone hydrochloride (CHEBI:2664) is a aromatic ketone (CHEBI:76224)
Synonyms Sources
Amiodarone hydrochloride KEGG COMPOUND
Cordarone (TN) KEGG COMPOUND
Manual Xref Database
D00636 KEGG DRUG
View more database links
Registry Number Type Source
19774-82-4 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017