S(-)-WIN 55,212-3 mesylate salt

Base Information

• Chemical Name: S(-)-WIN 55,212-3 mesylate salt
• CAS No.: 131543-25-4
• Molecular Formula: C28H30N2O6S
• Molecular Weight: 522.61
• DSSTox Substance ID: DTXSID70469448
• Mol file: 131543-25-4.mol

Synonyms:131543-25-4;S(-)-WIN 55,212-3 mesylate salt;methanesulfonic acid;[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone;Methanone, [(3S)-2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenyl-, methanesulfonate (1:1);(?)-WIN 55,212-3 (mesylate);HMS3268N06;WIN 55,212-3 MESYLATE;(S)-(-)-WIN 55,212 MESYLATE;DTXSID70469448;s(-)-Win 55 212-3 mesylate;AKOS024457052;(S)-(-)-WIN 55,212;J-502327;(S)-(5-methyl-3-(morpholinomethyl)-2,3-dihydro-[1,4]oxazino[2,3,4-hi]indol-6-yl)(naphthalen-1-yl)methanone mesylate;[(3S)-2,3-Dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenyl-methanone monomethanesulfonate;[(3S)-2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenyl-methanone, methanesulfonate

Chemical Property of S(-)-WIN 55,212-3 mesylate salt

Chemical Property:

• Appearance/Colour: off-white solid
• Vapor Pressure: 1.14E-15mmHg at 25°C
• Refractive Index: ">
• Boiling Point: 627.7 °C at 760 mmHg
• Flash Point: 333.4 °C
• PSA: 106.45000
• LogP: 5.12230
• Storage Temp.: Store at +4°C
• Solubility.: 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 2.4 mg/mL
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 522.18245785
• Heavy Atom Count: 37
• Complexity: 772

Purity/Quality:

99% ^*data from raw suppliers

WIN552,12-3Mesylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C3N1C(COC3=CC=C2)CN4CCOCC4)C(=O)C5=CC=CC6=CC=CC=C65.CS(=O)(=O)O
• Isomeric SMILES: CC1=C(C2=C3N1[C@H](COC3=CC=C2)CN4CCOCC4)C(=O)C5=CC=CC6=CC=CC=C65.CS(=O)(=O)O
• Uses: WIN 552,12-3 Mesylate is a high affinity cannabinoid agonist.