Basic information
- CAS
73826-55-8- Standard SMILES
CCOC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.Cl- InChIKey
PWWRCUHLUQYUTP-UHFFFAOYSA-N- Molecular formula
- C23H28Cl2N2O2S
- Average molar mass
- 467.5 g/mol
- Monoisotopic mass
- 466.1248547
Names & identifiers
- Preferred name
- Isonipecotic acid, 1-(3-(2-chloro-10-phenothiazinyl)propyl)-, hydrochloride
- IUPAC
- ethyl 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxylate;hydrochloride
Names & synonyms
ISONIPECOTIC ACID, 1-(3-(2-CHLORO-10-PHENOTHIAZINYL)PROPYL)-, HYDROCHLORIDE73826-55-810-(3-(1-(4-Carbethoxypiperidyl))propyl)-2-chlorophenothiazine hydrochloride4-Piperidinecarboxylic acid, 1-(3-(2-chloro-10-phenothiazinyl)propyl)-, hydrochlorideRefChem:349732DTXSID70994942Ethyl 1-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperidine-4-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
73826-55-8- PubChem CID
- 52628
- DTXSID
DTXSID70994942
Properties
Computed structural properties
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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