Basic information
- CAS
67658-46-2- Standard SMILES
CCCN1C[C@H](CC(N)=O)CC2c3cccc4[nH]cc(c34)C[C@H]21.CCCN1C[C@H](CC(N)=O)CC2c3cccc4[nH]cc(c34)C[C@H]21.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
CSFAPYYGNPPUKR-QSDZZOHASA-N- Molecular formula
- C42H56N6O8
- Average molar mass
- 772.9 g/mol
- Monoisotopic mass
- 772.41596277
Names & identifiers
- Preferred name
- 2,3-Dihydroxybutanedioic acid--2-(6-propylergolin-8-yl)ethanimidic acid (1/2)
- IUPAC
- bis(2-[(6aR,9S)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide);(2R,3R)-2,3-dihydroxybutanedioic acid
Names & synonyms
67658-46-2DTXSID209870212,3-Dihydroxybutanedioic acid--2-(6-propylergolin-8-yl)ethanimidic acid (1/2)RefChem:1059416DTXCID801414193(8-beta)-6-Propylergoline-8-acetamide tartrate (2:1)Ergoline-8-acetamide, 6-propyl-, (8-beta)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)(2R,3R)-2,3-Dihydroxybutanedioic acid--[(10xi)-6-propylergolin-8beta-yl]ethanimidic acid (1/2)
Database identifiers
- CAS
67658-46-2- PubChem CID
- 3051687
- DTXSID
DTXSID20987021
Properties
Computed structural properties
- Topological polar surface area
- 239 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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