17α-hydroxyprogesterone

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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)

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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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