1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)

Base Information

• Chemical Name: 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)
• CAS No.: 67918-90-5
• Molecular Formula: C44H60N6O12
• Molecular Weight: 864.9802
• DSSTox Substance ID: DTXSID10218134
• Mol file: 67918-90-5.mol

Synonyms:1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1);67918-90-5;DTXSID10218134;C40H54N6O6.C4H6O6;LS-139712;C40-H54-N6-O6.C4-H6-O6

Chemical Property of 1H-Pyrrolo(1,2,3-de)quinoxaline-6-carboxylic acid, 2,3-dihydro-1-(2-(diethylamino)ethyl)-5-methyl-2-oxo-, ethyl ester, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)

Chemical Property:

• Vapor Pressure: 6.07E-13mmHg at 25°C
• Boiling Point: 568.6°Cat760mmHg
• Flash Point: 297.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 19
• Exact Mass: 864.42692137
• Heavy Atom Count: 62
• Complexity: 656

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCN1C(=O)CN2C(=C(C3=C2C1=CC=C3)C(=O)OCC)C.CCN(CC)CCN1C(=O)CN2C(=C(C3=C2C1=CC=C3)C(=O)OCC)C.C(C(C(=O)O)O)(C(=O)O)O
• Isomeric SMILES: CCN(CC)CCN1C(=O)CN2C(=C(C3=C2C1=CC=C3)C(=O)OCC)C.CCN(CC)CCN1C(=O)CN2C(=C(C3=C2C1=CC=C3)C(=O)OCC)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O