Amauromine

Base Information

• Chemical Name: Amauromine
• CAS No.: 88360-87-6
• Molecular Formula: C32H36 N4 O2
• Molecular Weight: 508.663
• UNII: ZB3XU39EJD
• DSSTox Substance ID: DTXSID901098576
• Nikkaji Number: J358.675H
• Wikidata: Q76415543
• Metabolomics Workbench ID: 103737
• ChEMBL ID: CHEMBL2022567
• Mol file: 88360-87-6.mol

Synonyms:amauromine

Chemical Property of Amauromine

Chemical Property:

• PSA: 64.68000
• LogP: 5.15720
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 508.28382640
• Heavy Atom Count: 38
• Complexity: 999

Purity/Quality:

98%Min ^*data from raw suppliers

Amauromine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C=C)C12CC3C(=O)N4C(CC5(C4NC6=CC=CC=C65)C(C)(C)C=C)C(=O)N3C1NC7=CC=CC=C27
• Isomeric SMILES: CC(C)(C=C)[C@@]12C[C@H]3C(=O)N4[C@@H](C[C@@]5([C@H]4NC6=CC=CC=C65)C(C)(C)C=C)C(=O)N3[C@@H]1NC7=CC=CC=C27
• Description: Amauromine is a neutral antagonist of the cannabinoid (CB) receptor CB1 that is selective for CB1 (Ki = 178 nM; Kb = 66.6 nM) over CB2, with no activity at CB2 receptors at concentrations up to 10 μM. It is also an antagonist of GPR18 (IC50 = 3.74 μM). Amauromine has vasodilatory activity.
• Uses: Amauromine is a CB1 and Calcium Channel antagonist.