syn-Norgestimate

Base Information

• Chemical Name: syn-Norgestimate
• CAS No.: 35189-28-7
• Molecular Formula: C₂₃H₃₁NO₃
• Molecular Weight: 369.504
• Hs Code.: 2937230000
• European Community (EC) Number: 639-446-1
• UNII: PS8FJ64HR5
• Nikkaji Number: J968.604E,J968.609F,J76.211C
• Wikipedia: Norgestimate
• Wikidata: Q7051181
• NCI Thesaurus Code: C66245
• RXCUI: 31994
• Pharos Ligand ID: BZG3WGDL7QVZ
• Mol file: 35189-28-7.mol

Synonyms:norgestimate;norgestrel oxime acetate

Chemical Property of syn-Norgestimate

Chemical Property:

• Appearance/Colour: white crystalline solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 216 °C
• Refractive Index: 1.611
• Boiling Point: 497.896 °C at 760 mmHg
• PKA: 12.21±0.60(Predicted)
• Flash Point: 254.919 °C
• PSA: 58.89000
• Density: 1.221 g/cm³
• LogP: 4.71450
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: DMSO: soluble5mg/mL (clear solution)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 369.23039385
• Heavy Atom Count: 27
• Complexity: 744

Purity/Quality:

99% ^*data from raw suppliers

Norgestimate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 63-22-36/38-62
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC12CCC3C(C1CCC2(C#C)OC(=O)C)CCC4=CC(=NO)CCC34
• Isomeric SMILES: CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OC(=O)C)CCC4=C/C(=N\O)/CC[C@H]34
• Description: Norgestimate is an orally-effective progestogen, recently launched in combination with ethinyl estradiol as an oral contraceptive.
• Uses: Progestogen. In combination with estrogen as oral contraceptive antifungal Progestogen. In combination with estrogen as oral contraceptive.
• Therapeutic Function: Progestin

Technology Process of syn-Norgestimate

There total 5 articles about syn-Norgestimate 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: 88.0%

levonorgestrel acetate → norgestimate (35189-28-7)

Guidance literature:

With hydroxylamine acetate; In acetic acid; at 20 ℃; for 0.75h;

Reference yield: 88.0%

D-17β-acetoxy-13β-ethyl-17α-ethynyl-gon-4-en-3-one (13732-69-9) → norgestimate (35189-28-7)

Guidance literature:

With hydroxylamine acetate; In acetic acid; at 20 ℃; for 45h;

Reference yield:

→ 13β-ethyl-17α-ethynyl-17β-acetoxygon-4-en-3-one oxime (20799-27-3,35189-28-7,107382-51-4,107382-52-5,150653-82-0)

Guidance literature:

dl-13β-Aethyl-17α-aethinyl-17β-acetoxygon-4-en-3-on, NH2OH*HCl;

upstream raw materials:

D-17β-acetoxy-13β-ethyl-17α-ethynyl-gon-4-en-3-one

Refernces

• 1、 -. "PROCESS FOR THE SYNTHESIS OF HIGH PURITY D-(17ALPHA)-13-ETHYL-17-HYDROXY-18,19-DINORPRE:GN-4-ENE-20-YNE-3-ONE-OXIME". Page/Page column 5. . Retrieved 2008/06/13.