CAS 518-20-7|pyranocoumarin

Introduction：Basic information about CAS 518-20-7|pyranocoumarin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles3
7. Synonyms

Common Name	pyranocoumarin
CAS Number	518-20-7	Molecular Weight	322.35500
Density	1.27g/cm3	Boiling Point	488.6ºC at 760 mmHg
Molecular Formula	C₂₀H₁₈O₄	Melting Point	166°
MSDS	ChineseUSA	Flash Point	216.2ºC
Symbol	GHS06	Signal Word	Danger

Names

Name	2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one
Synonym	More Synonyms

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
InChIKey	ZGFASEKBKWVCGP-UHFFFAOYSA-N
SMILES	COC1(C)CC(c2ccccc2)c2c(c3ccccc3oc2=O)O1

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%

Articles3

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...

Synonyms

Pyranocumarin [German]

Cumopyran

Compound 63 link

CYCLOCUMAROL

Methanopyranorin

Cyclocoumarol

Anticoagulans 63

BL 5

Cumopyrin

Pyranocoumarin

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