Argipressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)-

Base Information

• Chemical Name: Argipressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)-
• CAS No.: 119617-73-1
• Molecular Formula: C57H76 N14 O12 S2
• Molecular Weight: 1213.43
• DSSTox Substance ID: DTXSID10152529
• Mol file: 119617-73-1.mol

Synonyms:1-(1-mercapto-4-phenylcyclohexaneacetic acid)-argipressin;arginine vasopressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)-;argipressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)-;PhCADAVP

Chemical Property of Argipressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 9.90±0.15(Predicted)
• Flash Point: °C
• Density: 1.5g/cm³
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 20
• Exact Mass: 1212.52085626
• Heavy Atom Count: 85
• Complexity: 2370

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(N(C1)C(=O)C2CSSC3(CCC(CC3)C4=CC=CC=C4)CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC5=CC=CC=C5)CC6=CC=C(C=C6)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)[C@@H]2CSSC3(CCC(CC3)C4=CC=CC=C4)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC5=CC=CC=C5)CC6=CC=C(C=C6)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N