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
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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