1H,7H-Cyclohepta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9,10,11-tetrahydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)
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Basic information
- CAS
67767-01-5- Standard SMILES
CC[NH+](CC)CCC1C=CC2=NC3=C(CCCCC3)N3CC(=O)C1=C23.CC[NH+](CC)CCC1C=CC2=NC3=C(CCCCC3)N3CC(=O)C1=C23.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-]- InChIKey
XJPCDHCGIUXILD-CEAXSRTFSA-N- Molecular formula
- C46H64N6O8
- Average molar mass
- 829 g/mol
- Monoisotopic mass
- 828.47856302
Names & identifiers
- Preferred name
- 1H,7H-Cyclohepta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9,10,11-tetrahydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)
- IUPAC
- bis(diethyl-[2-(15-oxo-1,9-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-2(8),9,11,14(17)-tetraen-13-yl)ethyl]azanium);(2R,3R)-2,3-dihydroxybutanedioate
Names & synonyms
1H,7H-Cyclohepta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9,10,11-tetrahydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)67767-01-5RefChem:236859
Database identifiers
- CAS
67767-01-5- PubChem CID
- 49975
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 817
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