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

Base Information

• Chemical Name: Argipressin, (1-mercapto-4-methylcyclohexaneacetic acid)(1)-
• CAS No.: 119617-71-9
• Molecular Formula: C52H74 N14 O12 S2
• Molecular Weight: 1151.36
• DSSTox Substance ID: DTXSID90152527
• Mol file: 119617-71-9.mol

Synonyms:1-(1-mercapto-4-methylcyclohexaneacetic acid)-argipressin;arginine vasopressin, (1-mercapto-4-methylcyclohexaneacetic acid)(1)-;argipressin, (1-mercapto-4-methylcyclohexaneacetic acid)(1)-;MeCAAVP;MeCADAVP

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

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.52g/cm³
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 19
• Exact Mass: 1150.50520620
• Heavy Atom Count: 80
• Complexity: 2240

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2(CC1)CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSS2)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC4=CC=CC=C4)CC5=CC=C(C=C5)O
• Isomeric SMILES: CC1CCC2(CC1)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSS2)C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC4=CC=CC=C4)CC5=CC=C(C=C5)O

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