Basic information
- CAS
5798-11-8- Standard SMILES
CN1CC2CCC(C1)N2CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl.Cl- InChIKey
LGUWCNCVRKWYMR-UHFFFAOYSA-N- Molecular formula
- C22H28Cl3N3S
- Average molar mass
- 472.9 g/mol
- Monoisotopic mass
- 471.106952
Names & identifiers
- Preferred name
- Phenothiazine, 2-chloro-10-(3-(3-methyl-3,8-diazabicyclo(3.2.1)oct-8-yl)propyl)-, dihydrochloride
- IUPAC
- 2-chloro-10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]phenothiazine;dihydrochloride
Names & synonyms
5798-11-8Phenothiazine, 2-chloro-10-(3-(3-methyl-3,8-diazabicyclo(3.2.1)oct-8-yl)propyl)-, dihydrochlorideRefChem:369529DTXSID609735492-Chloro-10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-10H-phenothiazine--hydrogen chloride (1/2)
Database identifiers
- CAS
5798-11-8- PubChem CID
- 201305
- DTXSID
DTXSID60973549
Properties
Computed structural properties
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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