mestranol

Name	mestranol
Synonyms	MESTRANOL mestranol (5beta)-stigmastane 17alpha-19-Norpregna-1,3,5(10)-trien-20-yn 17-ethynyl-3-methoxyestra-1,3,5(10)-trien-17-ol 19-nor-17α-pregna-1,3,5(10)-trien-20-yn-17-ol,3-methoxy- (17beta)-17-ethynyl-3-methoxyestra-1,3,5(10)-trien-17-ol 17a-Ethynyl-1,3,5(10)-estratriene-3,17b-diol 3-methyl ether 19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy- 19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17alpha)- 3,17-beta-dihydroxy-17-alpha-ethynyl-1,3,5(10)-estratriene-3-methylether 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-estratriene-3-methyl ether 17-eth-1-ynyl-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
CAS	72-33-3
EINECS	200-777-8
InChI	InChI=1/C29H52/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h20-27H,7-19H2,1-6H3/t21-,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1

Molecular Formula	C21H26O2
Molar Mass	310.43
Density	1.0865 (rough estimate)
Melting Point	153-155°C(lit.)
Boling Point	390.58°C (rough estimate)
Specific Rotation(α)	+2～+8°(D/20℃)(c=1, 1,4-dioxane)
Flash Point	224.1°C
Vapor Presure	2.38E-08mmHg at 25°C
Appearance	neat
Merck	5917
BRN	2625905
pKa	13.10±0.40(Predicted)
Storage Condition	Sealed in dry,2-8°C
Refractive Index	1.4900 (estimate)
MDL	MFCD00003689
In vitro study	Mestranol is extensively metabolized to hydroxylated products, and its biological activity is not well characterized.
In vivo study	In rats, Mestranol (0.2 mg/kg) caused an increase in the percentage of AHF expressing glutathione-S-transferase (PGST) in the liver. Compared with the control group, Mestranol administration increased the hepatocyte labeling index of the lesion, with this trend at the lower dose and a significant difference at the higher dose. Mestranol (0.02 mg/kg and 0.2 mg/kg diet), resulted in a reduction in the non-focal labeling index compared to corresponding concentrations of Mestranol alone. Mestranol significantly increased the labeling index of non-lesional livers in uninitiated rats compared to rats fed only the basal diet. Mestranol (50 mg/100 mg B. wt.) the apparent number of α-2-adrenoceptors in the frontal cortex and the nucleus tractus solitarius (NTS) of rats was significantly reduced, while the apparent number of α-1 and α-2-adrenoceptors in the locus coeruleus was reduced.

Hazard Symbols	Xn - Harmful
Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R40 - Limited evidence of a carcinogenic effect R48 - Danger of serious damage to health by prolonged exposure R68 - Possible risk of irreversible effects
Safety Description	S22 - Do not breathe dust. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves.
WGK Germany	3
RTECS	RC8960000
HS Code	29372900
Toxicity	LD50 oral in rat: > 10gm/kg