Basic information
- CAS
63719-09-5- Standard SMILES
CCCN1C[C@H](C(=O)OC)CC2c3cccc4[nH]cc(c34)C[C@H]21- InChIKey
GRLSDNSCSUYLMG-GWHNWCKOSA-N- Molecular formula
- C19H24N2O2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.18377801
Names & identifiers
- Preferred name
- Methyl 6-propyldihydronorlysergate
- IUPAC
- methyl (6aR,9R)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
Names & synonyms
63719-09-5Methyl 6-propyldihydronorlysergateNorlysergic acid, 6-propyldihydro-, methyl esterSCHEMBL7280210DTXSID90980160Methyl 6-propylergoline-8-carboxylateMethyl (10xi)-6-propylergoline-8beta-carboxylate
Database identifiers
- CAS
63719-09-5- PubChem CID
- 182385
- DTXSID
DTXSID90980160
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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