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8003-08-5

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CAS No.: 8003-08-5
Name: (6alpha)-6-methyl-3,20-dioxopregn-4-en-17-yl acetate - (17beta)-17-ethynylestra-1,3,5(10)-triene-3,17-diol (1:1)
Molecular Structure:
Molecular Structure of 8003-08-5 ((6alpha)-6-methyl-3,20-dioxopregn-4-en-17-yl acetate - (17beta)-17-ethynylestra-1,3,5(10)-triene-3,17-diol (1:1))
Formula: C24H34O4•C20H24O2
Molecular Weight: 683.02
Boiling Point: 496.4°C at 760 mmHg
Flash Point: 213.2°C
Safety: Mildly toxic by ingestion. Human reproductive effects by ingestion: effects on fertility; effects on uterus, vagina, cervix; menstrual changes or disorders. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
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Chemistry

Molecular Structure of Provest (CAS NO.8003-08-5):

Molecular Formula: C44H58O6
Molecular Weight: 682.9277
IUPAC Name:  [(6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate; (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
Synonyms of Provest (CAS NO.8003-08-5): Ethinyl Estradiol mixture with medroxyprogesterone acetate ; Ethinylestradiol and medroxyprogesterone acetate ; Medroxyprogesterone acetate and ethinylestradiol ; Nogest ; Provestal ; Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, (6-alpha)-, mixt. with (17-alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol
CAS NO: 8003-08-5
Classification Code: Hormone ; Human Data ; Reproductive Effect 
H bond acceptors: 4 
Freely Rotating Bonds: 3
Polar Surface Area: 60.44 Å2
Flash Point: 213.2 °C
Enthalpy of Vaporization: 76.41 kJ/mol
Boiling Point: 496.4 °C at 760 mmHg
Vapour Pressure of Provest (CAS NO.8003-08-5): 5.44E-10 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4216mg/kg (4216mg/kg)   International Journal of Fertility. Vol. 8, Pg. 589, 1963

Safety Profile

Mildly toxic by ingestion. Human reproductive effects by ingestion: effects on fertility; effects on uterus, vagina, cervix; menstrual changes or disorders. Experimental reproductive effects. When Provest (CAS NO.8003-08-5) is heated to decomposition, it emits acrid smoke and irritating fumes.