CAS 435-97-2|Phenprocoumon

Introduction：Basic information about CAS 435-97-2|Phenprocoumon, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Phenprocoumon BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	Phenprocoumon
CAS Number	435-97-2	Molecular Weight	280.318
Density	1.3±0.1 g/cm3	Boiling Point	463.2±45.0 °C at 760 mmHg
Molecular Formula	C₁₈H₁₆O₃	Melting Point	179.5ºC
MSDS	/	Flash Point	195.7±21.5 °C

Names

Name	phenprocoumon
Synonym	More Synonyms

Phenprocoumon BiologicalActivity

Description	Phenprocoumon is a coumarin derivative that acts as a long acting oral anticoagulant and an antagonist of vitamin K.
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Others
Target	Vitamin K[1].
In Vivo	After a single i.v.-dose of phenprocoumon (0.355 mg/kg) the anticoagulant effect obtained is greater in older than in younger rats. There are no differences between younger and older rats in the rate of elimination, volume of distribution and in the free fraction and free concentration values of phenprocoumon in plasma and liver. After i.v.-injection of 64.3 μg/kg [3H]vitamin K1 and different doses of phenprocoumon (0.02 to 3 mg/kg) the [3H]vitamin K1 concentration in the liver decreases and the [3H] vitamin K1-2, 3-epoxide concentration increases dependent on the dose and the liver concentration of phenprocoumon. These changes are more pronounced in the older than in the younger rats[2].
References	[1]. Straubhaar B, et al. The prevalence of potential drug-drug interactions in patients with heart failure at hospital discharge. Drug Saf. 2006;29(1):79-90. [2]. DIETMAR TRENK, et al. Age-dependent differences in the effect of phenprocoumon on the vitamin K1-epoxide cycle in rats. Trenk D. J Pharm Pharmacol. 1980 Dec;32(12):828-32.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	463.2±45.0 °C at 760 mmHg
Melting Point	179.5ºC
Molecular Formula	C₁₈H₁₆O₃
Molecular Weight	280.318
Flash Point	195.7±21.5 °C
Exact Mass	280.109955
PSA	50.44000
LogP	4.77
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.638
InChIKey	DQDAYGNAKTZFIW-UHFFFAOYSA-N
SMILES	CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Storage condition	2-8℃

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GN6769000

CHEMICAL NAME :: Coumarin, 3-(alpha-ethylbenzyl)-4-hydroxy-

CAS REGISTRY NUMBER :: 435-97-2

BEILSTEIN REFERENCE NO. :: 1291115

LAST UPDATED :: 199612

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C18-H16-O3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 222,107,1954

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 190 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 222,107,1954

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 32 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 222,107,1954

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 222,107,1954

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 62 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 222,107,1954 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 13500 ug/kg/26W-I

TOXIC EFFECTS :: Blood - hemorrhage Blood - change in clotting factors Related to Chronic Data - death

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,145,1971

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 24900 ug/kg/52W-I

TOXIC EFFECTS :: Related to Chronic Data - death

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,145,1971

Safety Information

RIDADR	UN 2811
Packaging Group	III
Hazard Class	6.1(b)
HS Code	2932209090

Customs

HS Code	2932209090
Summary	2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

Marcoumar

Phenprocumon

Marcumar

4-Hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one

UNII:Q08SIO485D

Falithrom

Falithiom

Phenprocumone

3-(a-Ethylbenzyl)-4-hydroxycoumarin

2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-phenylpropyl)-

RO 1-4849

Fencumar

LIQUAMAR

PHENPROCOUMON

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