Methylprednisolone 6α-Methylprednisolone

Structural formula

Business number	01TW
Molecular formula	C22H30O5
Molecular weight	374.47
label	Methylprednisolone, Ankylosaurus, Methylprednisolone, methylprednisone, Medrol, Medrone, 11β,17α,21-Trihydroxy-6α-methyl-1,4-pregnadiene-3,20-dione, 6α-Methyl-11β,17α,21-trihydroxy-1,4-pregnadiene-3,20-dione

• 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:83-43-2

MDL number:MFCD00010591

EINECS number:201-476-4

RTECS number:TU4146000

BRN number:2340300

PubChem number:24896564

Physical property data

1. Character:Colorless crystal.

2. Density (g/mL,25/4℃): Unsure

3. Relative vapor density (g/mL,AIR=1): Unsure

4. Melting point (ºC): 228~237℃

5. Boiling point (ºC,Normal pressure): Unsure

6. Boiling point (ºC,5.2kPa): Unsure

7. Refractive index: Uncertain

8. Flashpoint (ºC): Unsure

9. Specific optical rotation (º):[α]_D ²⁰ +83°(in dioxane).

10. Autoignition point or ignition temperature (ºC): Unsure

11. Vapor pressure (kPa,25ºC：20 mg/kg/45W-C

Rat caliber LD50: >4mg/kg;

Mouse abdominal cavity LD50: 2292mg/kg;

2, other multiple dose toxicity:

Dog caliber TDL0: 210 mg/kg/6W-I

Ecological data

None

Molecular structure data

1. Molar refractive index: 100.08

2. Molar volume (m³/mol）：291.4

3. isotonic specific volume (90.2K):804.8

4. Surface Tension (dyne/cm):58.1

5. Polarizability（10^-24cm³):39.67

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 9

6. Topological molecule polar surface area 94.8

7. Number of heavy atoms: 27

8. Surface charge: 0

9. Complexity: 754

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 8

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 and dry.

Synthesis method

None

Purpose

For biochemical research. Suitable for rheumatoid arthritis, collagen diseases, allergic diseases, eye diseases, lymphoid leukemia, soft tissue inflammation and hemolytic anemia, etc.

y: Arial”>Surface tension (dyne/cm): 58.1

5. Polarizability（10^-24cm³):39.67

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 9

6. Topological molecule polar surface area 94.8

7. Number of heavy atoms: 27

8. Surface charge: 0

9. Complexity: 754

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 8

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 and dry.

Synthesis method

None

Purpose

For biochemical research. Suitable for rheumatoid arthritis, collagen diseases, allergic diseases, eye diseases, lymphoid leukemia, soft tissue inflammation and hemolytic anemia, etc.