N,N-Diallyl-tyrosyl-alpha-aminoisobutyric acid-phenylalanyl-leucine

Base Information

• Chemical Name: N,N-Diallyl-tyrosyl-alpha-aminoisobutyric acid-phenylalanyl-leucine
• CAS No.: 89352-67-0
• Molecular Formula: C34H46 N4 O6
• Molecular Weight: 606.7522
• DSSTox Substance ID: DTXSID101008761
• Nikkaji Number: J22.235F
• Wikidata: Q27078028
• Mol file: 89352-67-0.mol

Synonyms:ICI 174864;ICI-174864;N,N-diallyl-Tyr-Aib-Phe-Leu;N,N-diallyl-tyrosyl-alpha-aminoisobutyric acid-phenylalanyl-leucine

Chemical Property of N,N-Diallyl-tyrosyl-alpha-aminoisobutyric acid-phenylalanyl-leucine

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 3.16E-34mmHg at 25°C
• Boiling Point: 892.7 °C at 760 mmHg
• Flash Point: 493.7 °C
• PSA: 177.17000
• Density: 1.16 g/cm³
• LogP: 4.67350
• Storage Temp.: −20°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 18
• Exact Mass: 606.34173520
• Heavy Atom Count: 44
• Complexity: 959

Purity/Quality:

99% ^*data from raw suppliers

ICI174,864 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)(C)NC(=O)C(CC2=CC=C(C=C2)O)N(CC=C)CC=C
• Isomeric SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(C)(C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N(CC=C)CC=C
• Uses: ICI 174864 is a highly selective, potent antagonist for the opioid δ-?receptor, and also a selective delta receptor antagonist.