Basic information
- CAS
2411-24-7- Standard SMILES
CCOC(=O)NC[C@@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1- InChIKey
MPYLLEFSSGNSNY-CZZJGDGRSA-N- Molecular formula
- C19H25N3O2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.19467705
Names & identifiers
- Preferred name
- Carbamic acid, ((6-methyl-8-beta-ergolinyl)methyl)-, ethyl ester
- IUPAC
- ethyl N-[[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]carbamate
Names & synonyms
((6-Methyl-8-beta-ergolinyl)methyl)carbamic acid ethyl ester2411-24-7Carbamic acid, ((6-methyl-8-beta-ergolinyl)methyl)-, ethyl esterRefChem:331695DTXSID10946940Ethyl hydrogen [(6-methylergolin-8-yl)methyl]carbonimidateEthyl hydrogen {[(10xi)-6-methylergolin-8beta-yl]methyl}carbonimidate
Database identifiers
- CAS
2411-24-7- PubChem CID
- 200637
- DTXSID
DTXSID10946940
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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