17α-hydroxyprogesterone
Structural formula
Business number | 01FG |
---|---|
Molecular formula | C21H30O3 |
Molecular weight | 330.46 |
label |
17α-Hydroxyprogesterone, 17α-hydroxypregnant-4-ene-3,20-dione, Hydroxyprogesterone, Pregnant-4-en-17α-ol-3,20-dione, 17hydroxyprogesterone, 17α-Hydroxyprogesterone, 17α-Hydroxypregnenedione, 17-hydroxypregnanthin, 4-Pregnen-17α-ol-3,20-dione, 17α-Hydroxy-4-pregnene-3,20-dione |
Numbering system
CAS number:68-96-2
MDL number:MFCD00003659
EINECS number:200-699-4
RTECS number:TU5060000
BRN number:3218109
PubChem number:24278469
Physical property data
1. Character: White diamond-shaped or hexagonal leaf-shaped crystals. 2. Density (g/mL, 25/4℃): Uncertain
3. Relative vapor density (g/mL, air=1): Uncertain
4. Melting point (ºC): 221℃ ( 219-220℃). 5. Boiling point (ºC, normal pressure): Uncertain
6. Boiling point (ºC, 5.2kPa): Uncertain
7. Refractive index: 90 ° (C=1, CHCl3)
p>
8. Flash point (ºC): Uncertain
9. Specific rotation (º): Uncertain
10. Autoignition point or ignition temperature (ºC ): Uncertain
11. Vapor pressure (kPa, 25ºC): Uncertain
12. Saturated vapor pressure (kPa, 60ºC): Uncertain
13. Heat of combustion (KJ/mol): Uncertain
14. Critical temperature (ºC): Uncertain
15. Critical pressure (KPa): Uncertain
16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain
17. The upper limit of explosion (%, V/V): Uncertain
18. Lower explosion limit (%, V/V): Uncertain
19. Solubility: Easily soluble in ethanol and ether, soluble in benzene, insoluble in water.
Toxicological data
Reproduction: Female intramuscular TDLo: 65 mg/kgSEX/DURATION: female 8-32 week(s) after conception; Rabbit subcutaneous injection TDLo: 5 mg/kgSEX/DURATION: female 1 day(s) pre-mating;
Ecological data
None
Molecular structure data
1. Molar refractive index: 92.52
2. Molar volume (cm3/mol): 286.0
3. Isotonic specific volume (90.2K ): 747.2
4. Surface tensionForce (dyne/cm): 46.5
5. Polarizability (10-24cm3): 36.67
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: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 10
6. Topological molecule polar surface area 54.4
7. Number of heavy atoms: 24
8. Surface charge: 0
9. Complexity: 635
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 6
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be kept sealed.
Synthesis method
None
Purpose
For biochemical research. Preparation of progesterone derivatives.
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