CAS No.57-63-6,Ethynyl estradiol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	57-63-6
Name:	Ethynyl estradiol
Article Data:	43

Formula:	C₂₀H₂₄O₂
Molecular Weight:	296.409
Synonyms:	19-Nor-17a-pregna-1,3,5(10)-trien-20-yne-3,17-diol(6CI,7CI,8CI);17-Ethinyl-3,17-estradiol;17-Ethinylestradiol;17-Ethynylestra-1,3,5(10)-triene-3,17b-diol;17a-Ethinyl-3,17-dihydroxy-D1,3,5-estratriene;17a-Ethynylestra-3,17b-diol;17a-Ethynylestradiol;19-Nor-17a-pregna-1,3,5(10)-trien-20-yne-3,17b-diol;Amenoron;Chee-O-Gen;Esteed;Estoral;Estorals;Estradiol, 17-ethynyl-;Ethidol;Ethinoral;Ethynylestradiol;Ethynyloestradiol;Eticyclin;Eticyclol;Follicoral;Ginestrene;Linoral;Lynoral;Microfollin;NSC 10973;Oradiol;Orestralyn;Primogyn C;Progynon C;
EINECS:	200-342-2
Density:	1.21 g/cm³
Melting Point:	182-183 °C(lit.)
Boiling Point:	457.2 °C at 760 mmHg
Flash Point:	211.2 °C
Solubility:	ethanol: 50 mg/mL, clear, slightly yellow
Appearance:	Off-White to Light-Yellow Crystalline Powder
Hazard Symbols:	T
Risk Codes:	45-22
Safety:	53-36/37/39-45
PSA:	40.46000
LogP:	3.61260

Synthetic route

: 68-22-4
norethisterone

: 57-63-6
ethinyl estradiol

Conditions

Conditions	Yield
With copper(ll) bromide In acetonitrile for 16h; Ambient temperature;	79%
homogenates of human adult liver;
With Cephalosporium aphidicola (IMI 68689) In dimethyl sulfoxide at 29℃; for 192h;	164 mg

: 53-16-7
Estrone

: 1111-63-3, 115570-71-3
potassium acetylide

: 57-63-6
ethinyl estradiol

: 53-16-7
Estrone

: 4301-14-8
acetylenemagnesium bromide

: 57-63-6
ethinyl estradiol

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Chemistry

IUPAC Name: (8R,9S,13S,14S,17R)-17-Ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Molecular Weight: 296.40336 [g/mol]
Molecular Formula: C₂₀H₂₄O₂
XLogP3: 3.7
H-Bond Donor: 2
H-Bond Acceptor: 2
EINECS: 200-342-2
Product Categories: Alcohols and Derivatives; Steroids; Acetylenes; Biochemistry; Functionalized Acetylenes; Hydroxysteroids; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals
Refractive index: -30 ° (C=0.4, Pyridine)
Solubility: ethanol: 50 mg/mL, clear, slightly yellow
Index of Refraction: 1.623
Molar Refractivity: 86.26 cm³
Molar Volume: 244.4 cm³
Surface Tension: 57.2 dyne/cm
Density: 1.21 g/cm³
Flash Point: 211.2 °C
Enthalpy of Vaporization: 75.58 kJ/mol
Boiling Point: 457.2 °C at 760 mmHg
Vapour Pressure: 3.74E-09 mmHg at 25 °C
Appearance: Off-White to Light-Yellow Crystalline Powder
Melting Point: 182-183 °C(lit.)
Classification Code of Ethynyl estradiol (CAS NO.57-63-6): Drug / Therapeutic Agent; Estrogen; Estrogens; Hormone; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists; Human Data; Mutation data; Reproductive Effect; Tumor data

History

The first orally active semisynthetic steroidal estrogen, Ethynyl estradiol (CAS NO.57-63-6), the 17alpha-ethynyl analog of estradiol, was synthesized in 1938 by Hans Herloff Inhoffen and Walter Hohlweg at Schering AG in Berlin. It was approved by the FDA in the U.S. on June 25, 1943 and marketed by Schering as Estinyl. The FDA withdrew approval of Estinyl effective June 4, 2004 at the request of Schering, who had discontinued marketing Estinyl.

Uses

Ethynyl estradiol (CAS NO.57-63-6) is used as a female hormone class medicine. It is a synthetic steroid with high oral estrogenic potency.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	250mg/kg (250mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990.
mouse	LD50	oral	950mg/kg (950mg/kg)		Drugs in Japan Vol. -, Pg. 222, 1995.
mouse	LD50	subcutaneous	> 3gm/kg (3000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BLOOD: HEMORRHAGE	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990.
rat	LD50	intraperitoneal	471mg/kg (471mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990.
rat	LD50	oral	960mg/kg (960mg/kg)		Drugs in Japan Vol. -, Pg. 222, 1995.
rat	LD50	subcutaneous	> 2gm/kg (2000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BLOOD: HEMORRHAGE	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990.
women	TDLo	oral	21mg/kg/21D-I (21mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: NAUSEA OR VOMITING	Lancet. Vol. 1, Pg. 1479, 1973.

Consensus Reports

NTP 10th Report on Carcinogens. IARC Cancer Review: Human Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 21 , 1979,p. 233.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 6 , 1974,p. 77.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 21 , 1979,p. 233.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: T
Risk Statements: 45-22
45:May cause cancer
22:Harmful if swallowed
Safety Statements: 53-36/37/39-45
53:Avoid exposure - obtain special instruction before use
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible
WGK Germany: 3
RTECS: RC8925000
Confirmed carcinogen with experimental carcinogenic, tumorigenic, and neoplastigenic data. Poison by intraperitoneal route. Moderately toxic by ingestion. Human systemic effects by ingestion: glandular effects. An experimental teratogen. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

Ethynyl estradiol (CAS NO.57-63-6), its Synonyms are (17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol ; 17-Ethinyl-3,17-estradiol ; 17-Ethinyl-3,17-oestradiol ; 17-Ethinylestradiol ; 17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene ; 17-Ethynylestradiol ; 17-Ethynyloestradiol ; 17-alpha-Ethinyl-17-beta-estradiol ; 17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene ; Aethinyloestradiolum ; Aethinyoestradiol ; Estorals ; Estra-1,3,5(10)-triene-3,17-beta-diol, 17-alpha-ethynyl- ; Estra-1,3,5(10)-triene-3,17beta-diol, 17alpha-ethynyl- ; Estradiol, 17-ethynyl- ; Ethidol ; Ethinoral ; Primogyn C ; Primogyn M ; Progynon C ; Spanestrin .