loading...| Preferred Name |
Acenocoumarol |
|
| Synonyms |
4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one Nitrowarfarin Nitrovarfarian 4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one acenocoumarolum 3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin 3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin Nicoumalone Nitrophenylacetylethyl-4-hydroxycoumarine acenocoumarol Acenokumarin Acenocumarolo acenocumarol 3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one 3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin 3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin Acenocoumarin Nicumalon |
|
| Definitions |
A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_53766 |
|
| charge |
0 |
|
| database_cross_reference |
Patent:US2648682 KEGG:D07064 PMID:17275317 Beilstein:1269370 LINCS:LSM-5112 DrugBank:DB01418 CAS:152-72-7 Reaxys:1269370 |
|
| definition |
A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group. |
|
| formula |
C19H15NO6 |
|
| has role | ||
| has_alternative_id |
CHEBI:494206 |
|
| has_exact_synonym |
4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Nitrowarfarin Nitrovarfarian 4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one acenocoumarolum 3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin 3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin Nicoumalone Nitrophenylacetylethyl-4-hydroxycoumarine acenocoumarol Acenokumarin Acenocumarolo acenocumarol 3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one 3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin 3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin Acenocoumarin Nicumalon |
|
| has_RxCUI |
154 |
|
| id |
CHEBI:53766 |
|
| in_subset | ||
| inchi |
InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3 |
|
| inchikey |
VABCILAOYCMVPS-UHFFFAOYSA-N |
|
| is_bearer_of | ||
| label |
acenocoumarol Acenocoumarol |
|
| mass |
353.32550 |
|
| monoisotopicmass |
353.08994 |
|
| notation |
CHEBI:53766 |
|
| prefLabel |
Acenocoumarol |
|
| smiles |
CC(=O)CC(c1ccc(cc1)[N+]([O-])=O)c1c(O)c2ccccc2oc1=O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_37912 |