7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin

Base Information

• Chemical Name: 7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin
• CAS No.: 181467-56-1
• Molecular Formula: C₃₃H₃₈N₄O₈
• Molecular Weight: 618.687
• DSSTox Substance ID: DTXSID30435189
• Nikkaji Number: J768.402I
• Wikidata: Q27149594
• Mol file: 181467-56-1.mol

Synonyms:7-ethyl-10-(4-N-(5-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin;RPR 121056;RPR 121056A;RPR-121056A;RPR121056

Chemical Property of 7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin

Chemical Property:

• Melting Point: 166-168?C
• Boiling Point: 953.496oC at 760 mmHg
• Flash Point: 530.456oC
• PSA: 160.29000
• Density: 1.436g/cm3
• LogP: 3.77850
• Storage Temp.: -20°C Freezer
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 618.26896418
• Heavy Atom Count: 45
• Complexity: 1260

Purity/Quality:

97% ^*data from raw suppliers

7-Ethyl-10-(4-N-aminopentanoicacid)-1-piperidino)carbonyloxycamptothecin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)NCCCCC(=O)O
• Isomeric SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)NCCCCC(=O)O
• Uses: A major metabolite of Irinotecan.

Technology Process of 7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin

There total 2 articles about 7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin 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: 65.0%

irinotecan (97682-44-5,130144-33-1) → 7-ethyl-10-[4-N-(5-aminopentanoic acid)-1-piperidino]carbonyloxycamptothecin (181467-56-1)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 60 ℃; for 4h;

Reference yield:

→ APC (181467-56-1)

Guidance literature:

upstream raw materials:

irinotecan