Cholecystokinin (26-33)

Base Information

• Chemical Name: Cholecystokinin (26-33)
• CAS No.: 80980-81-0
• Molecular Formula: C49H61N9O17S3
• Molecular Weight: 1144.2537
• DSSTox Substance ID: DTXSID00230820
• Nikkaji Number: J879.294A
• Wikidata: Q83111552
• ChEMBL ID: CHEMBL375360
• Mol file: 80980-81-0.mol

Synonyms:CCK (26-33);cholecystokinin (26-33)

Chemical Property of Cholecystokinin (26-33)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.453g/cm³
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 33
• Exact Mass: 1143.33475503
• Heavy Atom Count: 78
• Complexity: 2180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)N
• Isomeric SMILES: CSCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)N

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