Ketone, 2-chlorophenothiazin-10-yl 2-(4-(2-hydroxyethyl)-1-piperazinyl)ethyl, dihydrochloride
Basic information
- CAS
28747-82-2- Standard SMILES
Cl.Cl.O=C(CCN1CCN(CCO)CC1)N1c2ccccc2Sc2ccc(Cl)cc21- InChIKey
PRYMXHIMDPCGRF-UHFFFAOYSA-N- Molecular formula
- C21H26Cl3N3O2S
- Average molar mass
- 490.9 g/mol
- Monoisotopic mass
- 489.081131
Names & identifiers
- Preferred name
- Ketone, 2-chlorophenothiazin-10-yl 2-(4-(2-hydroxyethyl)-1-piperazinyl)ethyl, dihydrochloride
- IUPAC
- 1-(2-chlorophenothiazin-10-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one;dihydrochloride
Names & synonyms
Ketone, 2-chlorophenothiazin-10-yl 2-(4-(2-hydroxyethyl)-1-piperazinyl)ethyl, dihydrochloride28747-82-2DTXSID70182923Phenothiazine, 2-chloro-10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propionyl)-, dihydrochlorideRefChem:350397DTXCID101054141-(2-Chloro-10H-phenothiazin-10-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
28747-82-2- PubChem CID
- 34316
- DTXSID
DTXSID70182923
Properties
Computed structural properties
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…