Pharmakon1600-01503921

Base Information

• Chemical Name: Pharmakon1600-01503921
• CAS No.: 2098-66-0
• Molecular Formula: C₂₂H₂₇ClO₃
• Molecular Weight: 374.908
• NSC Number: 758636
• ChEMBL ID: CHEMBL3039468
• Mol file: 2098-66-0.mol

Synonyms:Spectrum_001572;Spectrum2_001597;Spectrum3_001901;Spectrum4_000853;Spectrum5_001362;BSPBio_003462;KBioGR_001485;KBioSS_002052;DivK1c_000786;SPECTRUM1503921;SPBio_001594;CHEMBL3039468;HMS502H08;KBio1_000786;KBio2_002052;KBio2_004620;KBio2_007188;KBio3_002966;NINDS_000786;HMS1922K16;Pharmakon1600-01503921;CCG-39375;NSC758636;IDI1_000786;NCGC00178048-01;AB00052385_02;SR-01000872778;SR-01000872778-1

Chemical Property of Pharmakon1600-01503921

Chemical Property:

• Vapor Pressure: 4.92E-13mmHg at 25°C
• Melting Point: 208-210 °C
• Refractive Index: 1.604
• Boiling Point: 521 °C at 760 mmHg
• PKA: 12.86±0.70(Predicted)
• Flash Point: 268.9 °C
• PSA: 60.44000
• Density: 1.296 g/cm³
• LogP: 4.60760
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 374.1648724
• Heavy Atom Count: 26
• Complexity: 797

Purity/Quality:

99.9% ^*data from raw suppliers

Cyproterone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)O
• Isomeric SMILES: CC(=O)[C@]1(CCC2[C@@]1(CCC3C2C=C(C4=CC(=O)[C@@H]5CC5[C@]34C)Cl)C)O
• Uses: insecticide Cyproterone is used to control sexual attraction in men in cases of sexual deviations, as well as for inoperable prostate gland carcinoma. In women, it is used for severe cases of androgenization, and in children with idiopathic premature sexual maturity. An antiandrogen, suppresses Testosterone and its metabolites. Derivatives of Cyproterone are administered to patients suffering from hypersexuality and to help facilitate the sexual transformation of male-to-female transsexuals.

Technology Process of Pharmakon1600-01503921

There total 5 articles about Pharmakon1600-01503921 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

cyproterone acetate (427-51-0) → cyproterone (34554-28-4,39789-56-5,64397-71-3,2098-66-0)

Guidance literature:

With potassium hydroxide; In dichloromethane; at 40 ℃; for 2h;

DOI:10.1007/s11095-006-9225-9

Reference yield:

→ cyproterone (34554-28-4,39789-56-5,64397-71-3,2098-66-0)

Guidance literature:

Reference yield:

→ (9R,10R,13S,17R)-17-Acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,8,9,10,11,12,13,14,15,16,17,20-dodecahydro-1H-cyclopropa[1,2]cyclopenta[a]phenanthren-3-one (2098-66-0,34554-28-4,39789-56-5,64397-71-3)

Guidance literature:

Entspr. 17α-Acetat, H2O/NaOH/NaClO4;

upstream raw materials:

cyproterone acetate

Refernces

• 1、 -. "Combined antiestrogens and antigonadotropically effective antiandrogens for the prophylaxis and therapy of hyperplasia of the prostate". . . Retrieved 2008/06/13.