Basic information
- CAS
62848-18-4- Standard SMILES
Cl.OC1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)C1- InChIKey
JSFZWPGUYCFPSV-UHFFFAOYSA-N- Molecular formula
- C20H22ClF3N2OS
- Average molar mass
- 430.9 g/mol
- Monoisotopic mass
- 430.10934666
Overview
structure given in first source; possibly an antipsychotic agent
Names & identifiers
- Preferred name
- 10-(3-(3-Hydroxypyrrolidinyl)propyl)-2-trifluoromethylphenothiazine
- IUPAC
- 1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]pyrrolidin-3-ol;hydrochloride
- English name
- 10-(3-(3-hydroxypyrrolidinyl)propyl)-2-trifluoromethylphenothiazine
- Molecular weight
- 0
Names & synonyms
62848-18-4E-066310-(3-(3-Hydroxypyrrolidinyl)propyl)-2-trifluoromethylphenothiazineRefChem:774103-Pyrrolidinol, 1-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-, monohydrochlorideE 0663SCHEMBL10955331DTXSID409785521-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]pyrrolidin-3-ol;hydrochloride2-trifluoromethyl-10-[3-(3-hydroxypyrrolidino)-propyl]-phenothiazine.hydrochloride1-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}pyrrolidin-3-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
62848-18-4- PubChem CID
- 162982
- DTXSID
DTXSID40978552
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 506
Related reactions
2 records
Compound notes
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