norethindrone acetate – Pu catalyst

Structural formula

Business number	015C
Molecular formula	C22H28O3
Molecular weight	340.46
label	norethindrone acetate, 17β-Hydroxy 9-nor-17α-pregnant-4-en-20-yn-3-one-17-acetate, 17α-Ethynyl-19-nortestosterone 17β-acetate, 17-Hydroxy-19-nor-17α-4-pregnen-20-yn-3-one acetate, 19-Norethindrone acetate, 19-Norethisterone 17-acetate, 17α-Ethynyl-17β-hydroxy-19-nor-4-androsten-3-one 17-acetate

Numbering system

CAS number:51-98-9

MDL number:MFCD00198397

EINECS number:200-132-0

RTECS number:RC8965000

BRN number:None

PubChem number:24897767

Physical property data

1. Character:White or off-white crystalline powder

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC):202-208

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

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º):Undetermined

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

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient of water) : Undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 99.79

2. Molar volume (m³/mol):312

3. isotonic specific volume (90.2K):810.1

4. Surface Tension (dyne/cm):45.4

5. Dipole moment ( D):（1D=3.33×10-³⁰C·m）

6. Polarizability（10^-24cm³):39.56

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):3.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 8

6. Topological molecular polar surface area (TPSA):43.4

7. Number of heavy atoms: 25

8. �Surface charge: 0

9. Complexity: 695

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 6

12. The number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

With4-Dimethylaminopyridine(DMAP) is a catalyst to react norethindrone and acetic anhydride to directly obtain norethindrone-17-acetate.

Purpose

Progesterone drugs, used for irregular menstruation; functional uterine bleeding; endometriosis, etc.