CAS 83-12-5|Phenindione

Introduction：Basic information about CAS 83-12-5|Phenindione, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Phenindione BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles27
8. Synonyms

Common Name	Phenindione
CAS Number	83-12-5	Molecular Weight	222.23900
Density	1.343g/cm3	Boiling Point	243.3 °C (0.3 mmHg)
Molecular Formula	C₁₅H₁₀O₂	Melting Point	144-148 °C(lit.)
MSDS	ChineseUSA	Flash Point	208 °C
Symbol	GHS06	Signal Word	Danger

Names

Name	phenindione
Synonym	More Synonyms

Phenindione BiologicalActivity

Description	Phenindione is an anticoagulant which functions as a Vitamin K antagonist.Target: OthersPhenindione(Rectadione) is an anticoagulant which functions as a Vitamin K antagonist. A lymphocyte transformation test showed proliferation of T-cells from the hypersensitive patient, but not from four controls on exposure to phenindione in vitro. Drug-specific T-cell clones were generated and characterized in terms of their phenotype, functionality, and mechanism of antigen presentation. Forty-three human leukocyte antigen class II restricted CD4+ αβ T-cell clones were identified. T-cell activation resulted in the secretion of interferon-γ and interleukin-5 [1].
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Cardiovascular Disease
References	[1]. Naisbitt, D.J., et al., Characterization of the T-cell response in a patient with phenindione hypersensitivity. Journal of Pharmacology and Experimental Therapeutics, 2005. 313(3): p. 1058-1065.

Chemical & Physical Properties

Density	1.343g/cm3
Boiling Point	243.3 °C (0.3 mmHg)
Melting Point	144-148 °C(lit.)
Molecular Formula	C₁₅H₁₀O₂
Molecular Weight	222.23900
Flash Point	208 °C
Exact Mass	222.06800
PSA	34.14000
LogP	2.84940
Index of Refraction	1.703
InChIKey	NFBAXHOPROOJAW-UHFFFAOYSA-N
SMILES	O=C1c2ccccc2C(=O)C1c1ccccc1
Storage condition	2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NK6125000

CHEMICAL NAME :: 1,3-Indandione, 2-phenyl-

CAS REGISTRY NUMBER :: 83-12-5

LAST UPDATED :: 199512

DATA ITEMS CITED :: 12

MOLECULAR FORMULA :: C15-H10-O2

MOLECULAR WEIGHT :: 222.25

WISWESSER LINE NOTATION :: L56 BV DV CHJ CR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 42500 ug/kg/17D-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - interstitial nephritis Kidney, Ureter, Bladder - urine volume decreased

REFERENCE :: BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 1,1655,1963

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 48 mg/kg/27D-I

TOXIC EFFECTS :: Blood - other changes Nutritional and Gross Metabolic - body temperature increase

REFERENCE :: NZMJAX New Zealand Medical Journal. (New Zealand Medical Assoc., P.O. Box 156, Wellington, New Zealand) V.1- 1900- Volume(issue)/page/year: 57,283,1958

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 22 mg/kg/17D-I

TOXIC EFFECTS :: Liver - hepatitis (hepatocellular necrosis), diffuse Kidney, Ureter, Bladder - interstitial nephritis Skin and Appendages - dermatitis, other (after systemic exposure)

REFERENCE :: AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 52,706,1960

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 90 mg/kg/27D-I

TOXIC EFFECTS :: Liver - hepatitis (hepatocellular necrosis), diffuse Skin and Appendages - dermatitis, allergic (after systemic exposure)

REFERENCE :: CMAJAX Canadian Medical Association Journal. (Canadian Medical Assoc., POB 8650, Ottawa, ON K1G 0G8, Canada) V.1- 1911- Volume(issue)/page/year: 77,1028,1957

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 1683 mg/kg/31D-I

TOXIC EFFECTS :: Gastrointestinal - nausea or vomiting Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Skin and Appendages - dermatitis, other (after systemic exposure)

REFERENCE :: LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 1,920,1963

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 163 mg/kg

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

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 9,519,1974

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 190 mg/kg

TOXIC EFFECTS :: Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 16,34,1961

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 175 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: 90,213,1960

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

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

REFERENCE :: PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 27,520,1972

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 140 mg/kg

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

REFERENCE :: DIPHAH Dissertationes Pharmaceuticae. (Warsaw, Poland) V.1-17, 1949-65. For publisher information, see PJPPAA. Volume(issue)/page/year: 8,289,1956

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 130 mg/kg

TOXIC EFFECTS :: Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 16,34,1961 *** REVIEWS *** TOXICOLOGY REVIEW AJMEAZ American Journal of Medicine. (Technical Pub., 875 Third Ave., New York, NY 10022) V.1- 1946- Volume(issue)/page/year: 38,409,1965

Safety Information

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301-H317
Precautionary Statements	P280-P301 + P310
Personal Protective Equipment	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes	T: Toxic;
Risk Phrases	R25
Safety Phrases	S36/37/39-S45
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS	NK6125000
Packaging Group	III
Hazard Class	6.1(b)
HS Code	2914399090

Customs

HS Code	2914399090
Summary	2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles27

Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.

Bioorg. Med. Chem. 18 , 2225-31, (2010)

There are many of pathogen parasite species with different susceptibility profile to antiparasitic drugs. Unfortunately, almost QSAR models predict the biological activity of drugs against only one pa...

Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.

Toxicol. Mech. Methods 18 , 217-27, (2008)

ABSTRACT Drug-induced phospholipidosis (PL) is a condition characterized by the accumulation of phospholipids and drug in lysosomes, and is found in a variety of tissue types. PL is frequently manifes...

Maintenance of anticoagulant and antiplatelet agents for patients undergoing peribulbar anesthesia and vitreoretinal surgery.

Retina (Philadelphia, Pa.) 32(9) , 1868-73, (2012)

To establish the prevalence of anticoagulation (vitamin K antagonists) and antiplatelet agent therapy in patients undergoing vitreoretinal surgery and to compare the outcome of peribulbar anesthesia a...

Synonyms

2-PHENYL-1,3-INDANDIONE

2-phenylindene-1,3-dione

EINECS 201-454-4

MFCD00003782

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