Basic information
- CAS
29573-89-5- Standard SMILES
Cl.Cl.O=C(CN1CCN(CCO)CC1)N1c2ccccc2Sc2ccccc21- InChIKey
HOYMCFARXRZEHA-UHFFFAOYSA-N- Molecular formula
- C20H25Cl2N3O2S
- Average molar mass
- 442.4 g/mol
- Monoisotopic mass
- 441.1044536
Names & identifiers
- Preferred name
- Ketone, (4-(2-hydroxyethyl)piperazinyl)methyl phenothiazin-10-yl, dihydrochloride
- IUPAC
- 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenothiazin-10-ylethanone;dihydrochloride
Names & synonyms
Ketone, (4-(2-hydroxyethyl)piperazinyl)methyl phenothiazin-10-yl, dihydrochloride29573-89-5DTXSID90183750Phenothiazine, 10-(2-(4-(2-hydroxyethyl)piperazinyl)acetyl)-, dihydrochlorideRefChem:350363DTXCID301062412-[4-(2-Hydroxyethyl)piperazin-1-yl]-1-(10H-phenothiazin-10-yl)ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
29573-89-5- PubChem CID
- 34636
- DTXSID
DTXSID90183750
Properties
Computed structural properties
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…