structural formula
| business number | 01gz |
|---|---|
| molecular formula | c21h26o2 |
| molecular weight | 310.44 |
| label |
ethinyl estradiol methyl ether, mestranol, 17α-ethynylestradiol 3-methyl ether, 3-methoxy-17α-ethynylestradiol, 17α-ethynyl-1,3,5(10)-estratriene-3, 17β-diol 3-methyl ether |
numbering system
cas number:72-33-3
mdl number:mfcd00003689
einecs number:200-777-8
rtecs number:rc8960000
brn number:2625905
pubchem id:none
physical property data
1. properties: uncertain
2. density (g/ml, 25/4℃): uncertain
3. relative vapor density (g/ml, air =1): uncertain
4. melting point (ºc): 153-155 (lit.)
5. boiling point (ºc, normal pressure): uncertain
6. boiling point (ºc, 5.2 kpa): uncertain
7. refractive index: uncertain
8. flash point (ºc): uncertain
9. specific optical rotation (º): uncertain
10. autoignition point or ignition temperature (ºc): uncertain
11. vapor pressure (kpa, 25 ºc): uncertain
12. saturated vapor pressure (kpa, 60 ºc): uncertain
13. heat of combustion (kj/mol): uncertain
14. critical temperature (ºc): uncertain
15. critical pressure (kpa): uncertain
16. log value of oil-water (octanol/water) partition coefficient : uncertain
17. explosion upper limit (%, v/v): uncertain
18. explosion lower limit (%, v/v): uncertain
19. solubility: uncertain
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 91.10
2. molar volume (cm3/mol): 269.4
3. isotonic specific volume (90.2k ): 715.8
4. surface tension (dyne/cm): 49.8
5. polarizability (10-24cm3): 36.11
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 29.5
7. number of heavy atoms: 23
8. surface charge: 0
9. complexity: 519
10. number of isotope atoms: 0
11. number of determined atomic stereocenters: 5
12. number of uncertain atomic stereocenters: 0
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of stereocenters of chemical bonds: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
this product should be stored in a sealed, cool, dry and dark place.
synthesis method
none
purpose
mainly used for ovarian insufficiency, amenorrhea, functional uterine bleeding, menopausal syndrome, etc.
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