Simpinicline

Base Information

• Chemical Name: Simpinicline
• CAS No.: 753015-44-0
• Molecular Formula: C₁₀H₁₃N₃
• Molecular Weight: 175.233
• UNII: 09936A4QSN
• ChEMBL ID: CHEMBL4594254
• NCI Thesaurus Code: C179121

Synonyms:Simpinicline;Simpinicline [USAN];OC-02;TC-6499;09936A4QSN;UNII-09936A4QSN;753015-44-0;TC6499;WHO 11359;Pyrimidine, 5-((1E)-2-(3R)-3-pyrrolidinylethenyl)-;5-((E)-2-((3R)-pyrrolidin-3-yl)ethenyl)pyrimidine;SIMPINICLINE [INN];SCHEMBL1335091;SCHEMBL1335095;CHEMBL4594254;FNEHSHNEXMPCLJ-VWCDRPFISA-N;AKOS040758329;CS-0213571;TC-6499-12;(R)-5-((E)-2-pyrrolidin-3-ylvinyl)pyrimidine

Chemical Property of Simpinicline

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 175.110947427
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1CNCC1C=CC2=CN=CN=C2
• Isomeric SMILES: C1CNC[C@H]1/C=C/C2=CN=CN=C2
• Recent ClinicalTrials: Study Evaluating the Effect of TC-6499 on Gastric Emptying Time in Diabetic Subjects With Gastroparesis
• Recent EU Clinical Trials: A Randomized, Double-Blind, Placebo Controlled, Parallel Group, Proof of Principle Study to Evaluate the Safety, Tolerability, and Efficacy of TC-6499-12 in the Treatment of Constipation Predominant Irritable Bowel Syndrome.

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