Products 152-72-7

CAS 152-72-7 appears in our catalog under these names: Acenocoumarol, 95%, Acenocoumarol, Acenocoumarol, >95% (HPLC), Acenocoumarol, 98%, Acenocoumarol/ 98.6% (existing batch purity). Offered by: Combi-blocks, Chemat Brand, TRC, AmBeed, Mikromol. Available pack sizes: 250mg, 1g, on request, 10mg, 25mg, 50mg, 5mg, 10mM (in 1ml dmso).

Structural formula: {0} (CAS {1})

Acenocoumarol is a hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group. It has a role as an anticoagulant and an EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor. It is a C-nitro compound, a hydroxycoumarin and a methyl ketone.

Source: ChEBI

Identity
Molecular formulaC19H15NO6
Molecular weight353.3 g/mol
IUPAC name4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one
InChIKeyVABCILAOYCMVPS-UHFFFAOYSA-N
SMILESCC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)O

Computed by PubChem (NCBI)