4-Hydroxyamesergide
Basic information
- CAS
121566-75-4- Standard SMILES
CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NC3CCC(O)CC3)CN(C)[C@@H]1C2- InChIKey
CWFUIPWFPMISLQ-MRMDNLSOSA-N- Molecular formula
- C25H35N3O2
- Average molar mass
- 409.6 g/mol
- Monoisotopic mass
- 409.27292737
Overview
active metabolite of amesergide; RN refers to (8beta(trans))-isomer
Names & identifiers
- Preferred name
- 4-Hydroxyamesergide
- IUPAC
- (6aR,9R,10aR)-N-(4-hydroxycyclohexyl)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
Names & synonyms
4-HydroxyamesergideDTXSID60153304RefChem:99269DTXCID9075795121566-75-4SCHEMBL9548472N-(4-Hydroxycyclohexyl)-6-methyl-1-(propan-2-yl)ergoline-8beta-carboxamideErgoline-8-carboxamide, N-(4-hydroxycyclohexyl)-6-methyl-1-(1-methylethyl)-, (8beta(trans))-
Database identifiers
- CAS
121566-75-4- PubChem CID
- 129457
- DTXSID
DTXSID60153304- Nikkaji
- J716.642G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 632
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…