Sameridine
Basic information
- CAS
143257-97-0- Standard SMILES
CCCCCCN1CCC(C(=O)N(C)CC)(c2ccccc2)CC1- InChIKey
TYWUGCGYWNSRPS-UHFFFAOYSA-N- Molecular formula
- C21H34N2O
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.26711371
Overview
Sameridine is a small molecule drug. Sameridine has a monoisotopic molecular weight of 330.27 Da.
Names & identifiers
- Preferred name
- Sameridine
- IUPAC
- N-ethyl-1-hexyl-N-methyl-4-phenylpiperidine-4-carboxamide
- English name
- Sameridine
- Molecular formula
- C21H34N2O
- Molecular weight
- 330.51
Names & synonyms
Sameridine143257-97-0sameridinaNQP2Y50Y6BDTXSID30162367sameridinumRefChem:181091DTXCID0084858Sameridine [INN]N-ethyl-1-hexyl-N-methyl-4-phenylpiperidine-4-carboxamideN-Ethyl-1-hexyl-N-methyl-4-phenyl-4-piperidinecarboxamideUNII-NQP2Y50Y6B
Show more names
4-Piperidinecarboxamide, N-ethyl-1-hexyl-N-methyl-4-phenyl-
SCHEMBL419071orb3174010CHEMBL2104504BDBM309407AKOS015909863US9656961, Example 00127NS00125558H51214
Database identifiers
- CAS
143257-97-0- PubChem CID
- 65996
- DTXSID
DTXSID30162367- ChEMBL
CHEMBL2104504- UNII
- NQP2Y50Y6B
- Nikkaji
- J550.718I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Boiling point
- 452.9 · 452.9±45.0 °C(Predicted)
- Density
- 0.985 · 0.985±0.06 g/cm3(Predicted)
- pka
- 8.79 · 8.79±0.10(Predicted)
- FDA UNII
- 2 Y50Y6B · NQP2Y50Y6B
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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