Ketone, 2-chlorophenothiazin-10-yl (4-(2-hydroxyethyl)-1-piperazinyl)methyl, dihydrochloride
Basic information
- CAS
29573-90-8- Standard SMILES
Cl.Cl.O=C(CN1CCN(CCO)CC1)N1c2ccccc2Sc2ccc(Cl)cc21- InChIKey
OCJVHIVDXBSTON-UHFFFAOYSA-N- Molecular formula
- C20H24Cl3N3O2S
- Average molar mass
- 476.8 g/mol
- Monoisotopic mass
- 475.065481
Names & identifiers
- Preferred name
- Ketone, 2-chlorophenothiazin-10-yl (4-(2-hydroxyethyl)-1-piperazinyl)methyl, dihydrochloride
- IUPAC
- 1-(2-chlorophenothiazin-10-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride
Names & synonyms
29573-90-8Ketone, 2-chlorophenothiazin-10-yl (4-(2-hydroxyethyl)-1-piperazinyl)methyl, dihydrochlorideDTXSID50183751Phenothiazine, 2-chloro-10-(2-(4-(2-hydroxyethyl)-1-piperazinyl)acetyl)-, dihydrochlorideRefChem:350396DTXCID901062421-(2-Chloro-10H-phenothiazin-10-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
29573-90-8- PubChem CID
- 34638
- DTXSID
DTXSID50183751
Properties
Computed structural properties
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 517
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Compound notes
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