Estropipate

Base Information

• Chemical Name: Estropipate
• CAS No.: 7280-37-7
• Deprecated CAS: 29080-16-8
• Molecular Formula: C18H22O5S^.C4H10N2
• Molecular Weight: 436.572
• Hs Code.: 2937230000
• European Community (EC) Number: 230-696-3
• UNII: SVI38UY019
• DSSTox Substance ID: DTXSID3023005
• Wikipedia: Estropipate
• Wikidata: Q5401860
• NCI Thesaurus Code: C47521
• ChEMBL ID: CHEMBL1200980
• Mol file: 7280-37-7.mol

Synonyms:estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, compd. with piperazine (1:1);estropipate;Genoral;Harmogen;Harmonet;Ogen;Ortho-Est;piperazine estrone sulfate

Chemical Property of Estropipate

Chemical Property:

• Vapor Pressure: 3.66E-17mmHg at 25°C
• Melting Point: 245 °C
• Boiling Point: 638.2 °C at 760 mmHg
• PKA: pKa 3.6/9.7(acetonitrile,80% v/v) (Uncertain)
• Flash Point: 339.8 °C
• PSA: 113.11000
• LogP: 4.21100
• Storage Temp.: Store at RT
• Solubility.: DMSO: ≥24mg/mL
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 436.20319330
• Heavy Atom Count: 30
• Complexity: 650

Purity/Quality:

99% ^*data from raw suppliers

Estropipate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 45-22
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1
• Uses: Estropipate is used in post-menopausal women for hormonal replacement therapy, with benefits to improved cognition and prevention of osteoporosis.
• Therapeutic Function: Estrogen

Technology Process of Estropipate

There total 1 articles about Estropipate 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: 83.2%

piperazine (110-85-0) + estrone sulfate (481-97-0) → piperazine oestrone sulphate (7280-37-7)

Guidance literature:

In dichloromethane; at 20 - 25 ℃; Solvent;

upstream raw materials:

piperazine

estrone sulfate

Refernces