7-Benzyl-3-((thienyl-2-yl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane tartrate

Base Information

• Chemical Name: 7-Benzyl-3-((thienyl-2-yl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane tartrate
• CAS No.: 120466-49-1
• Molecular Formula: C24H32N2O8S2
• Molecular Weight: 540.6495
• DSSTox Substance ID: DTXSID40923426

Synonyms:7-Benzyl-3-((thienyl-2-yl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane tartrate;120466-49-1;3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(phenylmethyl)-7-(2-thienylsulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1);DTXSID40923426;C20H26N2O2S2.C4H6O6;LS-59680;C20-H26-N2-O2-S2.C4-H6-O6;2,3-Dihydroxybutanedioic acid--3-benzyl-9,9-dimethyl-7-(thiophene-2-sulfonyl)-3,7-diazabicyclo[3.3.1]nonane (1/1)

Chemical Property of 7-Benzyl-3-((thienyl-2-yl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane tartrate

Chemical Property:

• Vapor Pressure: 1.87E-10mmHg at 25°C
• Boiling Point: 508.4°Cat760mmHg
• Flash Point: 261.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 540.16000833
• Heavy Atom Count: 36
• Complexity: 711

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CN(CC1CN(C2)S(=O)(=O)C3=CC=CS3)CC4=CC=CC=C4)C.C(C(C(=O)O)O)(C(=O)O)O
• Isomeric SMILES: CC1(C2CN(CC1CN(C2)S(=O)(=O)C3=CC=CS3)CC4=CC=CC=C4)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

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