Basic information
- CAS
89930-60-9- Standard SMILES
CCCn1cc2c3c(cccc31)C1C=C(C)CN(C)C1C2.O=C(O)C(O)C(O)C(=O)O- InChIKey
QYFRKSXWBYEURI-UHFFFAOYSA-N- Molecular formula
- C23H30N2O6
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.21038668
Names & identifiers
- Preferred name
- Indolo[4, ergoline deriv.
- IUPAC
- 2,3-dihydroxybutanedioic acid;7,9-dimethyl-4-propyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline
Names & synonyms
Indolo[4, ergoline deriv.CHEMBL1988385DTXSID101009064NSC-3322922,3-Dihydroxybutanedioic acid--6,8-dimethyl-1-propyl-8,9-didehydroergoline (1/1)Ergoline,9-didehydro-6,8-dimethyl-1-propyl-, [R-(R*,R*)]-, 2,3-dihydroxybutanedioate (1:1)
Database identifiers
- CAS
89930-60-9- PubChem CID
- 433504
- DTXSID
DTXSID101009064- ChEMBL
CHEMBL1988385
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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