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 kept sealed, cool, dry and away from light.
Synthesis method
None
Purpose
Mainly used for ovarian insufficiency, amenorrhea, functional uterine bleeding, menopausal syndrome, etc.