Basic information
- Standard SMILES
CN(C)CCC=C1c2ccccc2CCc2ccccc21.CNC1(c2ccccc2Cl)CCCCC1=O- InChIKey
PREXBGKRNGULGL-UHFFFAOYSA-N- Molecular formula
- C33H39ClN2O
- Average molar mass
- 515.1 g/mol
- Monoisotopic mass
- 514.2750916
Names & identifiers
- Preferred name
- Amitriptyline ketamine
- IUPAC
- 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
Names & synonyms
amitriptyline ketamineSCHEMBL4381395PREXBGKRNGULGL-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 9892707
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 600
Related reactions
1 records
Compound notes
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