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Merck
CN

855871

Mestranol

99%

Synonym(s):

(17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol, 17α-Ethynyl-1,3,5(10)-estratriene-3,17β-diol 3-methyl ether, 17α-Ethynylestradiol 3-methyl ether, 3-Methoxy-17α-ethynylestradiol, NSC 84032

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About This Item

Empirical Formula (Hill Notation):
C21H26O2
CAS Number:
72-33-3
Molecular Weight:
310.43
UNSPSC Code:
12352112
NACRES:
NA.22
PubChem Substance ID:
24888219
EC Number:
200-777-8
Beilstein/REAXYS Number:
2625905
MDL number:
MFCD00003689
Assay:
99%
Form:
solid

Key Documents

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InChI key

IMSSROKUHAOUJS-MJCUULBUSA-N

InChI

1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1

SMILES string

COc1ccc2C3CC[C@@]4(C)C(CC[C@@]4(O)C#C)C3CCc2c1

assay

99%

form

solid

optical activity

[α]15/D +3°, c = 2 in dioxane

mp

153-155 °C (lit.)

functional group

hydroxyl

Quality Level

100

Gene Information

human ... ESR1(2099)

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Related Categories

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Warning

Hazard Classifications

Carc. 2 - Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCX7078
MKCT9401
MKCR8036
MKCR3001
MKCN4839

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Dennis R Doose et al.
Epilepsia, 44(4), 540-549 (2003-04-12)
To study the pharmacokinetics of a combination oral contraceptive (OC) containing norethindrone and ethinyl estradiol during OC monotherapy, concomitant OC and topiramate (TPM) therapy, and concomitant OC and carbamazepine (CBZ) therapy in order to comparatively evaluate the pharmacokinetic interaction, which
Yuegang Zuo et al.
Journal of chromatography. A, 1148(2), 211-218 (2007-04-03)
A rapid microwave-accelerated derivatization process for the GC-MS analysis of steroid estrogens, estrone (E1), 17beta-estradiol (E2), estriol (E3), 17alpha-ethynylestradiol (EE2) and mestranol (MeEE2), was developed. Under microwave irradiation, the five estrogenic hormones studied were simultaneously derivatized with N,O-bis(trimethylsilyl)trifluoroacetamide (BSTFA)+trimethylchlorosilane (TMCS)
Dóra Kovács et al.
Steroids, 77(11), 1075-1085 (2012-05-23)
Regioselective 1,3-dipolar cycloadditions of different aryl nitrile oxides to mestranol were carried out to furnish novel steroidal 17α-isoxazoles in good to excellent yields. Copper(I) was found to be an efficient catalyst, accelerating the intermolecular ring-closures and leading exclusively to 3,5-disubstituted
Yuegang Zuo et al.
Chemosphere, 63(9), 1583-1590 (2005-11-26)
17alpha-Ethinylestradiol (EE2), a major constituent of common contraceptive pills, and three other estrogenic hormones, estrone (E1), 17beta-estradiol (E2) and mestranol (MeEE2) have been determined in Acushnet River Estuary seawater using a GC-MS technique. Among three estrogenic compounds detected, EE2 has
A sesquineolignan with a spirodienone structure from Pinus sylvestris L.
Jari Sinkkonen et al.
Angewandte Chemie (International ed. in English), 46(22), 4148-4150 (2007-04-25)
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