Basic information
- CAS
89930-60-9- Standard SMILES
CCCn1cc2c3c(cccc31)[C@H]1C=C(C)CN(C)[C@@H]1C2.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
QYFRKSXWBYEURI-XJKHTWGASA-N- Molecular formula
- C23H30N2O6
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.21038668
Names & identifiers
- Preferred name
- 1-Propylagroclavine tartrate
- IUPAC
- (6aR,10aR)-7,9-dimethyl-4-propyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline;(2R,3R)-2,3-dihydroxybutanedioic acid
Names & synonyms
1-Propylagroclavine tartrate89930-60-91-Propylagroclavine hydrogen (2R,3R)-tartrateNSC332292CCRIS 2101NSC 3322928,9-Didehydro-6,8-dimethyl-1-propylergoline tartrateIndolo(4,3-fg)quinoline, ergoline deriv.Ergoline, 8,9-didehydro-6,8-dimethyl-1-propyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)(2R,3R)-2,3-dihydroxybutanedioic acid; dimethyl(propyl)[?]Ergoline, 8,9-didehydro-6,8-dimethyl-1-propyl-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
Database identifiers
- CAS
89930-60-9- PubChem CID
- 73501
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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