Basic information
- Standard SMILES
CN1CC(CNC(=O)OCc2ccccc2)CC2c3cccc4c3c(cn4C)CC21- InChIKey
WZHJKEUHNJHDLS-UHFFFAOYSA-N- Molecular formula
- C25H29N3O2
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.22597718
Overview
N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl)methyl]carbamic acid (phenylmethyl) ester is an organonitrogen heterocyclic compound and an organic heterotetracyclic compound.
Names & identifiers
- Preferred name
- Benzyl ((1,6-dimethylergolin-8-yl)methyl)carbamate
- IUPAC
- benzyl N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl]carbamate
Names & synonyms
DTXSID50860212Benzyl ((1,6-dimethylergolin-8-yl)methyl)carbamateBenzyl [(1,6-dimethylergolin-8-yl)methyl]carbamateRefChem:1079398DTXCID40209833Metergoline phenylmethyl esterbenzyl N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl]carbamateMFCD00153829Oprea1_664524BDBM86523CHEBI:91619HMS3266O14
Show more names
HMS3373D15NSC_28693AKOS030241625CAS_17692-51-2L000396BRD-A30435184-001-01-5N-Cbz-[(8beta)-1,6-Dimethylergolin-8-yl]methylamineQ27163448
Database identifiers
- PubChem CID
- 4090
- DTXSID
DTXSID50860212- ChEBI
CHEBI:91619
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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