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Ethyl biscoumacetate

Ethyl biscoumacetate structure

CAS No:
548-00-5
Formula:
C22H16O8
Chemical Name:
Ethyl biscoumacetate
Synonyms:
2H-1-Benzopyran-3-acetic acid,4-hydroxy-α-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxo-,ethyl ester;Acetic acid,bis(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-,ethyl ester;Bis(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)acetic acid ethyl ester;BOEA;3,3′-(Carboxymethylene)bis(4-hydroxycoumarin) ethyl ester;Dicumacyl;Ethyl biscoumacetate;Ethyl bis(4-hydroxycoumarinyl)acetate;Ethyl 4,4′-dihydroxydicoumarinyl-3,3′-acetate;Neodicoumarin;Neodicoumarol;Neodicumarol;Pelentan;Bis(4-hydroxy-3-coumarin)acetic acid ethyl ester;Tromexan;Trombarin;Trombil;Trombolysan;Neodicumarinum;NSC 36366;Stabilene;Tromexan ethyl acetate;Ethyl biscumacetate
Categories:
Active Pharmaceutical Ingredients > Blood System Drugs

Description

White, crystalline solid; odorless; bitter taste.Soluble in acetone and benzene; slightly soluble in alcohol and ether; insoluble in water.

Ethyl biscoumacetate is a hydroxycoumarin.|Ethyl biscoumacetate is a courmarin that is used as an anticoagulant. It has actions similar to those of Warfarin. (From Martindale, The Extra Pharmacopoeia, 30th ed, p226)|A coumarin that is used as an anticoagulant. It has actions similar to those of WARFARIN. (From Martindale, The Extra Pharmacopoeia, 30th ed, p226)

Ethyl biscoumacetate Basic Attributes

Molecular Weight：

408.36

Exact Mass：

408.36

EC Number：

208-940-5

UNII：

08KL644731

NSC Number：

36366

DSSTox ID：

DTXSID3057771

ATC Code：

B - Blood and blood forming organs

HScode：

2932209090

Characteristics

PSA：

127.18000

XLogP3：

3.00560

Density：

1.3259 (rough estimate)

Melting Point：

154 °C

Boiling Point：

448.92°C (rough estimate)

Refractive Index：

1.4480 (estimate)

Water Solubility：

54.31mg/L(temperature not stated)

Toxicity：

Oral-rat LD50: 840 mg/kg; Oral-Mouse LD50: 750 mg/kg

Flammability characteristics：

Heat breaks down to stimulate smoke; drug side effects: abnormal neovascular system, teratology, stillbirth

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

Storage features：

Warehouse ventilated, low temperature and dry

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH：

Agents that prevent BLOOD CLOTTING. (See all compounds classified as Anticoagulants.)

MeSH Entry Terms：

Biscoumacetate, Ethyl

Ethyl biscoumacetate Use and Manufacturing

Anticoagulant.

Computed Properties

Molecular Weight:408.4
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:408.08451746
Monoisotopic Mass:408.08451746
Topological Polar Surface Area:119
Heavy Atom Count:30
Complexity:752
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes