Riddelliine N-oxide

Base Information

• Chemical Name: Riddelliine N-oxide
• CAS No.: 75056-11-0
• Molecular Formula: C₁₈H₂₃NO₇
• Molecular Weight: 365.383
• DSSTox Substance ID: DTXSID501315962
• Nikkaji Number: J1.485.398G
• Wikidata: Q104388528
• Mol file: 75056-11-0.mol

Synonyms:riddelliine N-oxide

Chemical Property of Riddelliine N-oxide

Chemical Property:

• PSA: 122.49000
• LogP: 0.05670
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 365.14745207
• Heavy Atom Count: 26
• Complexity: 712

Purity/Quality:

99% ^*data from raw suppliers

Riddelliine N-oxide phyproof? Reference Substance ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1CC(=C)C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O
• Isomeric SMILES: C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CO)O

Technology Process of Riddelliine N-oxide

There total 2 articles about Riddelliine N-oxide 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:

riddelliine (23246-96-0) → (+/-)-6,7-dihydro-7-hydroxy-1-(hydroxymethyl)-5H-pyrrolizine (26400-45-3,31470-63-0) + riddelliine N-oxide (75056-11-0)

Guidance literature:

With human liver microsomes; NADP; glucose 6-phosphate dehydrogenase; D-glucose 6-phosphate; In phosphate buffer; at 37 ℃; pH=7.6; Further Variations:; Reagents; Enzyme kinetics;

DOI:10.1021/tx025605i

Reference yield:

riddelliine (23246-96-0) → riddelliine N-oxide (75056-11-0)

Guidance literature:

With dihydrogen peroxide;

DOI:10.1002/jms.2969

upstream raw materials:

riddelliine

Refernces

• 1、 Xia, Qingsu,Chou, Ming W.,Kadlubar, Fred F.,Chan, Po-Cheun,Fu, Peter P.. "Human liver microsomal metabolism and DNA adduct formation of the tumorigenic pyrrolizidine alkaloid, riddelliine". . p. 66 - 73. Retrieved 2007/10/03.