Basic information
- CAS
74627-54-6- Standard SMILES
CCNC(=O)C(C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)S(C)(=O)=O- InChIKey
HGZMXIHVYCKVIV-HYBZBHLBSA-N- Molecular formula
- C21H29N3O3S
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.19296297
Names & identifiers
- Preferred name
- N-Ethyl-6-methyl-alpha-(methylsulfonyl)-ergoline-8-propanamide, (8beta)-
- IUPAC
- 3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-ethyl-2-methylsulfonylpropanamide
Names & synonyms
0238A0DKJ3UNII-0238A0DKJ374627-54-6Ergoline-8-beta-propionamide, N-ethyl-6-methyl-alpha-(methylsulfonyl)-N-Ethyl-6-methyl-alpha-(methylsulfonyl)ergoline-8-beta-propionamideErgoline-8-propanamide, N-ethyl-alpha-(methylsulfonyl)-, (8-beta)-N-Ethyl-6-methyl-alpha-(methylsulfonyl)-ergoline-8-propanamide, (8beta)-N-ETHYL-6-METHYL-.ALPHA.-(METHYLSULFONYL)-ERGOLINE-8-PROPANAMIDE, (8.BETA.)-RefChem:202134Q27231483(8beta)-N-ethyl-6-methyl-alpha-(methylsulfonyl)-ergoline-8-propanamide
Database identifiers
- CAS
74627-54-6- PubChem CID
- 102445145
- UNII
- 0238A0DKJ3
- Nikkaji
- J79.357D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 691
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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