Argiprestocin

Base Information

• Chemical Name: Argiprestocin
• CAS No.: 113-80-4
• Molecular Formula: C43H67N15O12S2
• Molecular Weight: 1050.23
• European Community (EC) Number: 812-989-3
• UNII: W6S6URY8OF
• Nikkaji Number: J10.591K
• Wikipedia: Vasotocin
• Wikidata: Q871349
• NCI Thesaurus Code: C87380
• ChEMBL ID: CHEMBL2370156
• Mol file: 113-80-4.mol

Synonyms:(8-Arginine)Oxytocin;3 Isoleucyl Vasopressin;3-Isoleucyl Vasopressin;Arginine Oxytocin;Arginine Vasotocin;Argiprestocin;Argiprestocine;Isoleucyl Vasopressin;Non-Mammalian Vasopressin;Oxytocin, Arginine;Vasopressin, 3-Isoleucyl;Vasopressin, Isoleucyl;Vasopressin, Non Mammalian;Vasopressin, Non-Mammalian;Vasotocin;Vasotocin, Arginine

Chemical Property of Argiprestocin

Chemical Property:

• Refractive Index: 1.713
• PSA: 512.03000
• Density: 1.593 g/cm³
• LogP: 0.96440
• Storage Temp.: -15°C
• XLogP3: -5.1
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 19
• Exact Mass: 1049.45350498
• Heavy Atom Count: 72
• Complexity: 1990

Purity/Quality:

98%,99%, ^*data from raw suppliers

Vasotocin [Arg8] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
• Isomeric SMILES: CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)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