Cholylsarcosine

Base Information

• Chemical Name: Cholylsarcosine
• CAS No.: 93790-70-6
• Molecular Formula: C27H45 N O6
• Molecular Weight: 0
• UNII: IUB3L95RAQ
• ChEMBL ID: CHEMBL5095508
• Wikidata: Q27280896
• Mol file: 93790-70-6.mol

Synonyms:(11C)CSar;(N-methyl-11C)cholylsarcosine;11c-csar;cholyl-N-methylglycine;cholylsarcosine;glycine, N-methyl-N-((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)-

Chemical Property of Cholylsarcosine

Chemical Property:

• Vapor Pressure: 2.81E-20mmHg at 25°C
• Boiling Point: 660.9°Cat760mmHg
• Flash Point: 353.5°C
• PSA: 118.30000
• Density: 1.202g/cm³
• LogP: 2.90710
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 479.32468816
• Heavy Atom Count: 34
• Complexity: 789

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC(=O)N(C)CC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
• Isomeric SMILES: C[C@H](CCC(=O)N(C)CC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
• Recent EU Clinical Trials: Determination of radiation dose for the bile acid tracer 11C-CSar in humans

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