Acenocoumarol

• CAS: 152-72-7
• Catalog Number: ACM152727-1
• Category: Other Products
• Molecular Weight: 353.33
• Molecular Formula: C19H15NO6
• Synonyms: 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-hydroxy-coumari;3-(alpha-acetonyl-p-nitrobenzyl)-4-hydroxy-coumarin;3-(alpha-p-nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin;4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2h-1-benzopyran-2-on;4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2h-1-benzopyran-2-one
• IUPAC Name: 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one
• Canonical SMILES: CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)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
• InChI Key: VABCILAOYCMVPS-UHFFFAOYSA-N
• Boiling Point: 486.76 °C
• Melting Point: 197 °C
• Density: 1.3979 g/ml
• Appearance: Powder or solid
• Storage: -20 °C in the dark
• Hazard Statements: Xn
• Safety Description: 26-36/37
• Supplemental Hazard Statements: H302-H315-H319-H335
• Symbol: GHS07

Custom Q&A

What is the molecular formula of Acenocoumarol?

The molecular formula of Acenocoumarol is C19H15NO6.

What is the molecular weight of Acenocoumarol?

The molecular weight of Acenocoumarol is 353.3 g/mol.

What is the role of Acenocoumarol according to the reference?

Acenocoumarol has a role as an anticoagulant and an EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor.

What is the IUPAC name of Acenocoumarol?

The IUPAC name of Acenocoumarol is 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one.

What is the InChIKey of Acenocoumarol?

The InChIKey of Acenocoumarol is VABCILAOYCMVPS-UHFFFAOYSA-N.

What is the Canonical SMILES of Acenocoumarol?

The Canonical SMILES of Acenocoumarol is CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)O.

What is the CAS number of Acenocoumarol?

The CAS number of Acenocoumarol is 152-72-7.

What is the Common Name of Acenocoumarol?

The common name of Acenocoumarol is Acenocoumarin.

What is the EC Number of Acenocoumarol?

The EC Number of Acenocoumarol is 205-807-3.

What is the role of Acenocoumarol as a drug according to the reference?

Acenocoumarol is a 4-hydroxycoumarin derivative with anticoagulant activity and acts as a vitamin K antagonist inhibiting vitamin K epoxide reductase.