GR 89696 fumarate

Base Information

• Chemical Name: GR 89696 fumarate
• CAS No.: 126766-32-3
• Molecular Formula: C23H29Cl2N3O7
• Molecular Weight: 530.4
• UNII: YDF52K5SDR
• DSSTox Substance ID: DTXSID201017105
• Wikipedia: GR-89696
• ChEMBL ID: CHEMBL1256865
• Mol file: 126766-32-3.mol

Synonyms:1-((3,4-dichlorophenyl)acetyl)-4-acetyl-2-(1-pyrrolidinylmethyl)piperazine;GR 103545;GR 85571;GR 89696;GR 89696, (R)-isomer, (E)-2-butenedioate (1:1);GR-103545;GR-85571;GR-89696;GR103545;GR85571;methyl 4-((3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate fumarate

Chemical Property of GR 89696 fumarate

Chemical Property:

• Vapor Pressure: 1.55E-12mmHg at 25°C
• Boiling Point: 559.2 °C at 760 mmHg
• Flash Point: 292 °C
• PSA: 127.69000
• LogP: 2.43640
• Storage Temp.: Store at RT
• Solubility.: ethanol: 4.0 mg/mL
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 529.1382557
• Heavy Atom Count: 35
• Complexity: 649

Purity/Quality:

98%Min ^*data from raw suppliers

GR 89696 fumarate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.C(=C/C(=O)O)\C(=O)O
• Uses: GR 89696 is a selective κ-opioid receptor agonist with anti-nociceptive and neuroprotective properties.