Argipressin, (4-tert-butyl-1-mercaptocyclohexaneacetic acid)(1)-

Base Information

• Chemical Name: Argipressin, (4-tert-butyl-1-mercaptocyclohexaneacetic acid)(1)-
• CAS No.: 119617-72-0
• Molecular Formula: C55H80 N14 O12 S2
• Molecular Weight: 1193.44
• DSSTox Substance ID: DTXSID50152528
• Mol file: 119617-72-0.mol

Synonyms:1-(4-tert-butyl-1-mercaptocyclohexaneacetic acid)-argipressin;arginine vasopressin, (4-tert-butyl-1-mercaptocyclohexaneacetic acid)(1)-;argipressin, (4-tert-butyl-1-mercaptocyclohexaneacetic acid)(1)-;BCADAVP

Chemical Property of Argipressin, (4-tert-butyl-1-mercaptocyclohexaneacetic acid)(1)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.44g/cm³
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 32
• Exact Mass: 1192.55215639
• Heavy Atom Count: 83
• Complexity: 2330

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1CCC(CC1)(CC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(C=S)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)S
• Isomeric SMILES: CC(C)(C)C1CCC(CC1)(CC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C=S)C(=O)N4CCC[C@H]4C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N)S

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