Acenocoumarol
CHEBI:CHEBI_53766
Definition
A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group.
Chemical Information
- Molecular Formula
- C19H15NO6
- Molecular Mass
- 353.32550
- Charge
- 0
- SMILES
- CC(=O)CC(c1ccc(cc1)[N+]([O-])=O)c1c(O)c2ccccc2oc1=O
- 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
Alternative Names
- 3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin
- 3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin
- 3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin
- 3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin
- 3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin
- 4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one
- 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one
- 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one
- Acenocoumarin
- acenocoumarol
- acenocoumarolum
- acenocumarol
- Acenocumarolo
- Acenokumarin
- Nicoumalone
- Nicumalon
- Nitrophenylacetylethyl-4-hydroxycoumarine
- Nitrovarfarian
- Nitrowarfarin
Drug Classification
-
C-nitro compoundView Class →
CHEBI:35716
-
hydroxycoumarinView Class →
CHEBI:37912
-
methyl ketoneView Class →
CHEBI:51867
-
t244722
-
t244949
-
t245336
Important Medical Information
⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.
- Always consult with a healthcare professional before starting, stopping, or modifying any medication.
- Side effects may vary and this list may not be comprehensive.
- Drug interactions may occur with other medications.
Additional Identifiers
- oboInOwl#hasDbXref
- Reaxys:1269370
- DRON_00010000
- 154
- core#notation
- CHEBI:53766
Additional References
🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.
Additional Attributes
- oboInOwl#hasOBONamespace
- chebi_ontology
- oboInOwl#hasDbXref
- Reaxys:1269370
- DRON_00010000
- 154
- oboInOwl#hasAlternativeId
- CHEBI:494206
- oboInOwl#id
- CHEBI:53766
- core#notation
- CHEBI:53766
- RO_0000087
- http://purl.obolibrary.org/obo/CHEBI_50390
- oboInOwl#inSubset
- http://purl.obolibrary.org/obo/chebi#3_STAR
- BFO_0000053
- http://purl.obolibrary.org/obo/DRON_00020326
- 22-rdf-syntax-ns#type
- http://www.w3.org/2002/07/owl#Class
- owl#annotatedSource
- t245701
- owl#someValuesFrom
- t750928