2,3-Dihydroxybutanedioic acid--6,8-dimethyl-1-(prop-2-en-1-yl)ergoline (1/1)
Basic information
- CAS
89930-62-1- Standard SMILES
C=CCn1cc2c3c(cccc31)C1CC(C)CN(C)C1C2.O=C(O)C(O)C(O)C(=O)O- InChIKey
LBTDTCWXNSHPHN-UHFFFAOYSA-N- Molecular formula
- C23H30N2O6
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.21038668
Names & identifiers
- Preferred name
- 2,3-Dihydroxybutanedioic acid--6,8-dimethyl-1-(prop-2-en-1-yl)ergoline (1/1)
- IUPAC
- 2,3-dihydroxybutanedioic acid;7,9-dimethyl-4-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Names & synonyms
89930-62-1DTXSID801009065NSC-3322952,3-Dihydroxybutanedioic acid--6,8-dimethyl-1-(prop-2-en-1-yl)ergoline (1/1)
Database identifiers
- CAS
89930-62-1- PubChem CID
- 433506
- DTXSID
DTXSID801009065
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
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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