pyranocoumarin

Names

[ CAS No. ]:
518-20-7

[ Name ]:
pyranocoumarin

[Synonym ]:
Pyranocumarin [German]
Cumopyran
Compound 63 link
CYCLOCUMAROL
Methanopyranorin
Cyclocoumarol
Anticoagulans 63
BL 5
Cumopyrin
Pyranocoumarin

Chemical & Physical Properties

[ Density]:
1.27g/cm3

[ Boiling Point ]:
488.6ºC at 760 mmHg

[ Melting Point ]:
166°

[ Molecular Formula ]:
C₂₀H₁₈O₄

[ Molecular Weight ]:
322.35500

[ Flash Point ]:
216.2ºC

[ Exact Mass ]:
322.12100

[ PSA ]:
48.67000

[ LogP ]:
4.07000

[ Index of Refraction ]:
1.624

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UQ0335200

CHEMICAL NAME :: 2H,5H-Pyrano(3,2-c)(1)benzopyran-5-one, 3,4-dihydro-2-methoxy-2-methyl-4-phenyl-

CAS REGISTRY NUMBER :: 518-20-7

LAST UPDATED :: 199409

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C20-H18-O4

MOLECULAR WEIGHT :: 322.38

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 :: 4 gm/kg

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

REFERENCE :: 85ARAE "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revision Volume(issue)/page/year: 3,142,1986

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 21 mg/kg

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

REFERENCE :: 85JFAN "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc. of Chemistry, 1983-86 Volume(issue)/page/year: A355,1983

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1600 mg/kg

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

REFERENCE :: SMWOAS Schweizerische Medizinische Wochenschrift. (Schwabe & Co., Steintorst 13, 4010 Basel, Switzerland) V.50- 1920- Volume(issue)/page/year: 83,471,1953

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 :: SMWOAS Schweizerische Medizinische Wochenschrift. (Schwabe & Co., Steintorst 13, 4010 Basel, Switzerland) V.50- 1920- Volume(issue)/page/year: 83,471,1953

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H310

[ Precautionary Statements ]:
P262-P280-P302 + P352 + P310-P361 + P364

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
T+

[ Risk Phrases ]:
27

[ Safety Phrases ]:
28-36/37-45

[ RIDADR ]:
UN 2811

[ RTECS ]:
UQ0335200

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2932999099

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

The preferred solution conformation of warfarin at the active site of cytochrome P-450 based on the CD spectra in octanol/water model system.

J. Med. Chem. 27(8) , 1092-5, (1984)

An octanol/water model system and circular dichroism (CD) spectroscopy have been used to study the solution conformation of warfarin in aqueous and lipid environments. Upon partitioning of (S)-warfari...

Structural forms of phenprocoumon and warfarin that are metabolized at the active site of CYP2C9.

Arch. Biochem. Biophys. 372(1) , 16-28, (1999)

Possible reasons for the observed differences in metabolic behavior and drug interaction liability between the structurally similar oral anticoagulants warfarin and phenprocoumon were explored. Incuba...

Inhibitory effect of coumarins on HIV-1 replication and cell-mediated or cell-free viral transmission.

Acta Virol. 37(4) , 241-50, (1993)

A single dose of coumarin derivatives, warfarin, 4-hydroxycoumarin and umbelliferone, added at the time of inoculation either by free virus or by contact with U1 monocytes exhibited a dose-dependent i...