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Experimental Factor Ontology
Last uploaded:
December 16, 2024
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| Preferred Name | amiodarone | |
| Synonyms |
2-Butyl-3-(3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl)benzofuran 2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuran amiodaronum 2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone amiodarona (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone Amiodarone |
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| Definitions |
A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_2663 |
|
| charge |
0
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|
| database_cross_reference |
Beilstein:1271711 CAS:1951-25-3 HMDB:HMDB0015250 Patent:CA2826272 Wikipedia:Amiodarone PMID:16479044 Patent:TW201400111 PMID:18368867 KEGG:C06823 DrugBank:DB01118 LINCS:LSM-2379 PMID:10188629 KEGG:D02910 Drug_Central:176
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|
| definition |
A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.
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| formula |
C25H29I2NO3
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| has_exact_synonym |
(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone Amiodarone
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| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
2-Butyl-3-(3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl)benzofuran 2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuran amiodaronum 2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone amiodarona
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|
| id |
CHEBI:2663
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| in_subset | ||
| inchi |
InChI=1S/C25H29I2NO3/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
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| inchikey |
IYIKLHRQXLHMJQ-UHFFFAOYSA-N
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|
| label |
amiodarone
|
|
| mass |
645.31160
|
|
| monoisotopicmass |
645.02368
|
|
| notation |
CHEBI:2663
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|
| preferred label |
amiodarone
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|
| prefLabel |
amiodarone
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|
| smiles |
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
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| subClassOf |
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