Clomiphene Citrate

Structural formula

Business number	013M
Molecular formula	C32H36ClNO8
Molecular weight	598.09
label	1-Chloro-2-[p-(2,-diethylaminoethoxy)phenyl]-1,2-diphenylethyl citrate, Clomiphene citrate, clomiphene, chlorostilbene, Chlorostilamine citrate, Shujingol, Clomiphene dihydrocitrate, N,N-diethyl-2-[4-(1,2-diphenyl-2-chlorovinyl)phenoxy]ethylamine citrate, 2-(4-[2-Chloro-1,2-diphenylethenyl]phenoxy)-N,N-diethylethanamine, C26H28ClNO·C6H8O7

• 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:50-41-9

MDL number:MFCD00058322

EINECS number:200-035-3

RTECS number:YE0875000

BRN number:None

PubChem number:24892851

Physical property data

1. Character:White or milky white crystalline powder

2. Density (g/mL ,25/4℃): Undetermined

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

4. Melting point (ºC):116.5-118°C

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

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

7. Refractive index:Undetermined

8. Flash point (ºC): Undetermined

9. Specific optical rotation (º ): Undetermined

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

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

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

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

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

19. Solubility:Slightly soluble in ethanol, chloroform, water, but not soluble in ether.

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

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

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 9

4. Number of rotatable chemical bonds: 14

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA):145

7. Number of heavy atoms: 42

8. Surface charge: 0

9. Complexity: 708

10 , Isotope atomic number: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 1

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

None

Storage method

Sealed in4℃Save in a dry place and away from light.

Synthesis method

4-Hydroxybenzophenone and diethylaminoethyl chloride hydrochloride The salt is etherified to obtain p-diethylaminooxybenzophenone. After addition, hydrolysis, elimination, and chlorination, chlorostilbene amine is produced.[（911-45-5]), and finally use citric acid to form a salt to obtain the product.

Purpose

This product is an anti-estrogen (fertility inducer), used in gynecological diseases such as functional uterine bleeding, polycystic ovaries, menstrual disorders and drug-induced amenorrhea.

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