acenocoumarol

Names

[ CAS No. ]:
152-72-7

[ Name ]:
acenocoumarol

[Synonym ]:
UNII:I6WP63U32H
4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one
Trombostop
EINECS 205-807-3
MFCD00137816
2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-
2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-
2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-, (±)-
3-(a-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin
4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one
acenocoumarol
3-(a-p-Nitrophenyl-b-acetylethyl)-4-hydroxycoumarin

Biological Activity

[Description]:

Acenocoumarol is an anticoagulant that functions as a Vitamin K antagonist.

[Related Catalog]:

Signaling Pathways >> Others >> Others

Research Areas >> Cardiovascular Disease

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
592.7±50.0 °C at 760 mmHg

[ Melting Point ]:
196-199ºC

[ Molecular Formula ]:
C₁₉H₁₅NO₆

[ Molecular Weight ]:
353.326

[ Flash Point ]:
312.3±30.1 °C

[ Exact Mass ]:
353.089935

[ PSA ]:
113.33000

[ LogP ]:
3.15

[ Vapour Pressure ]:
0.0±1.8 mmHg at 25°C

[ Index of Refraction ]:
1.656

[ Water Solubility ]:
DMSO, heptane and xylene: ≥17mg/mL

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GN4900000

CHEMICAL NAME :: Coumarin, 3-(alpha-acetonyl-p-nitrobenzyl)-4-hydroxy-

CAS REGISTRY NUMBER :: 152-72-7

LAST UPDATED :: 199504

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C19-H15-N-O6

MOLECULAR WEIGHT :: 353.35

WISWESSER LINE NOTATION :: T66 BOVJ DY1V1&R DNW& EQ

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 :: 513 mg/kg

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

REFERENCE :: 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,3,1969

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1470 mg/kg

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

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 11,85,1956

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 115 mg/kg

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

REFERENCE :: 85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,6,1989 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

DOSE :: 24 mg/kg

SEX/DURATION :: female 1-28 week(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

REFERENCE :: AFPEAM Archives Francaises de Pediatrie. (Doin Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1942- Volume(issue)/page/year: 36,63,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7380 No. of Facilities: 8 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 239 (estimated) No. of Female Employees: 157 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P301 + P312 + P330-P305 + P351 + P338

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
63-22-36/37/38

[ Safety Phrases ]:
26-36/37

[ RIDADR ]:
UN 2811

[ RTECS ]:
GN4900000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2932209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2932209090

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

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