CID 6331609

Base Information

• Chemical Name: CID 6331609
• CAS No.: 52205-73-9
• Molecular Formula: C23H30Cl2NNa2O6P
• Molecular Weight: 566.41
• Hs Code.: 29242990
• NCI Thesaurus Code: C480
• RXCUI: 4090
• Mol file: 52205-73-9.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 CID 6331609

Chemical Property:

• Vapor Pressure: 2.21E-18mmHg at 25°C
• Boiling Point: 661.2 °C at 760 mmHg
• Flash Point: 353.7 °C
• PSA: 111.77000
• Density: 1.253 g/cm³
• LogP: 6.17540
• Storage Temp.: room temp
• Solubility.: H2O: soluble50mg/mL
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 542.1241994
• Heavy Atom Count: 34
• Complexity: 747

Purity/Quality:

99% ^*data from raw suppliers

EstramustineDisodiumPhosphate(~85%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na]
• 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.[Na]
• Description: Estramustine phosphate is a derivative of estradiol (Item Nos. 20776 | 10006315) that contains a nor-nitrogen mustard group. Estramustine phosphate destabilizes microtubules by binding to microtubule-associated proteins (MAPs) with Kd values of 10 and 15 μM for MAP-1 and MAP-2, respectively. Estramustine induces cell cycle arrest in mitosis at the metaphase stage in DU145 and PC3 prostate cancer cells and induces apoptosis in U87MG human malignant glioma cells. The metabolites of estramustine phosphate have anti-androgenic effects. Formulations containing estramustine phosphate are used in the palliative treatment of prostate cancer.
• Uses: Estramustine phosphate sodium USP (Emcyt) is used to treat Prostatic carcinoma. Estramustine sodium phosphate is binds estradiol receptors irreversibly. Antineoplastic.