Estramustine phosphate

Base Information

• Chemical Name: Estramustine phosphate
• CAS No.: 4891-15-0
• Molecular Formula: C23H32Cl2NO6P
• Molecular Weight: 520.39
• European Community (EC) Number: 225-512-3
• NSC Number: 89199
• UNII: MUZ9585Y7B
• DSSTox Substance ID: DTXSID7048667
• Nikkaji Number: J12.770A
• Wikipedia: Estramustine_phosphate
• Wikidata: Q27137070
• Pharos Ligand ID: SHP4SGGPKTCQ
• Metabolomics Workbench ID: 65146
• ChEMBL ID: CHEMBL1756
• Mol file: 4891-15-0.mol

Synonyms:Emcyt;Estracyt;Estramustin Phosphate;Estramustine;Estramustine Phosphate Sodium;Estramustinphosphate;Leo 275;Leo-275;Leo275;NSC 89199;NSC-89199;NSC89199;Phosphate Sodium, Estramustine;Phosphate, Estramustin

Chemical Property of Estramustine phosphate

Chemical Property:

• Boiling Point: 661.166 °C at 760 mmHg
• Flash Point: 353.66 °C
• PSA: 106.11000
• Density: 1.401 g/cm³
• LogP: 5.29900
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 519.1344301
• Heavy Atom Count: 33
• Complexity: 747

Purity/Quality:

99% ^*data from raw suppliers

ESTRAMUSTINE PHOSPHATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
• Recent ClinicalTrials: A Study of Epirubicin With Estramustine Phosphate and Celecoxib for the Treatment of Prostate Cancer
• Recent EU Clinical Trials: KEES- A single arm phase II trial of the peroral regimen KEES (Ketokonazole, Etoposide, Estramustine, Sendoxan) in patients with Castration Resistant Prostate Cancer (CRPC)
• Recent NIPH Clinical Trials: Neoadjuvant docetaxel in high-risk prostate cancer
• Therapeutic Function: Cancer chemotherapy
• Clinical Use: Alkylating agent:Prostate cancer
• Drug interactions: Potentially hazardous interactions with other drugsAntipsychotics: avoid concomitant use with clozapine (increased risk of agranulocytosis).Bisphosphonates: concentration increased by sodium clodronate

Technology Process of Estramustine phosphate

There total 1 articles about Estramustine phosphate 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:

→ estra-1,3,5(10)-triene-3,17β-diol 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogen phosphate) (4891-15-0)

Guidance literature:

17-Hydroxyverb., POCl3-Pyridin;