3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;octanoic acid
Basic information
- CAS
82678-18-0- Standard SMILES
CCCCCCCC(=O)O.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21- InChIKey
JLFDBSRECCGZSQ-UHFFFAOYSA-N- Molecular formula
- C25H35ClN2O2S
- Average molar mass
- 463.1 g/mol
- Monoisotopic mass
- 462.2107772
Names & identifiers
- Preferred name
- 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;octanoic acid
- IUPAC
- 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;octanoic acid
Names & synonyms
82678-18-0DTXSID80231956Octanoic acid--3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine (1/1)
Database identifiers
- CAS
82678-18-0- PubChem CID
- 158233
- DTXSID
DTXSID80231956
Properties
Computed structural properties
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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