loading...| Preferred Name |
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| Synonyms |
4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one 4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one Nitrowarfarin 3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin 3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin Acenocoumarin 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one 3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin Acenocumarolo Acenokumarin 3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin Nicoumalone acenocumarol Nitrophenylacetylethyl-4-hydroxycoumarine 3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin acenocoumarolum Nitrovarfarian acenocoumarol Nicumalon |
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| Definitions |
A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_53766 |
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| charge |
0 |
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| database_cross_reference |
NIST Chemistry WebBook:152-72-7 KEGG DRUG:152-72-7 DrugBank:152-72-7 Beilstein:1269370 KEGG DRUG:D07064 ChemIDplus:152-72-7 SNOMEDCT:79356008 ChEMBL:17275317 NCIt:C75152 MeSH:D000074 SNOMEDCT:387457003 DrugBank:DB01418 LINCS:LSM-5112 KEGG:D07064 Patent:US2648682 PMID:17275317 Reaxys:1269370 CAS:152-72-7 |
|
| definition |
A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group. |
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| formula |
C19H15NO6 |
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| has_alternative_id |
CHEBI:494206 |
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| has_exact_synonym |
4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one |
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| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one Nitrowarfarin 3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin 3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin Acenocoumarin 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one 3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin Acenocumarolo Acenokumarin 3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin Nicoumalone acenocumarol Nitrophenylacetylethyl-4-hydroxycoumarine 3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin acenocoumarolum Nitrovarfarian acenocoumarol Nicumalon |
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| has_role | ||
| id |
CHEBI:53766 |
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| 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 |
|
| label |
acenocoumarol |
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| mass |
353.32550 |
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| monoisotopicmass |
353.08994 |
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| notation |
CHEBI:53766 |
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| smiles |
CC(=O)CC(c1ccc(cc1)[N+]([O-])=O)c1c(O)c2ccccc2oc1=O |
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| subClassOf |