Basic information
- CAS
67658-55-3- Standard SMILES
CN1C[C@H](CNS(=O)(=O)N2CCCC2)C=C2c3cccc4c3c(cn4C)C[C@H]21- InChIKey
FULSHKNULNBUKK-MGPUTAFESA-N- Molecular formula
- C21H28N4O2S
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.19329732
Names & identifiers
- Preferred name
- 1-Pyrrolidinesulfonamide, N-(((8-beta)-9,10-didehydro-1,6-dimethylergolin-8-yl)methyl)-
- IUPAC
- N-[[(6aR,9R)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]pyrrolidine-1-sulfonamide
Names & synonyms
1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide67658-55-31-Pyrrolidinesulfonamide, N-(((8-beta)-9,10-didehydro-1,6-dimethylergolin-8-yl)methyl)-N-(((8-beta)-9,10-Didehydro-1,6-dimethylergolin-8-yl)methyl)-1-pyrrolidinesulfonamideRefChem:2352821-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-piperidinosulfonamide67658-58-6DTXSID80987022N-[(1,6-Dimethyl-9,10-didehydroergolin-8-yl)methyl]pyrrolidine-1-sulfonamideN-[(1,6-Dimethyl-9,10-didehydroergolin-8beta-yl)methyl]pyrrolidine-1-sulfonamide
Database identifiers
- CAS
67658-55-3- PubChem CID
- 3051688
- DTXSID
DTXSID80987022
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 727
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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