Basic information
- CAS
33492-21-6- Standard SMILES
FC(F)(F)c1ccc2c(c1)N(CCCN1CCN3CCCCC3C1)c1ccccc1S2.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
PKQLPGCQYUEDNM-UHFFFAOYSA-N- Molecular formula
- C28H32F3N3O8S
- Average molar mass
- 627.6 g/mol
- Monoisotopic mass
- 627.18622065
Names & identifiers
- Preferred name
- Phenothiazine, 10-(3-(octahydro-2H-pyrido(1,2-a)pyrazin-2-yl)propyl)-2-(trifluoromethyl)-, maleate (1:2)
- IUPAC
- 10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-2-(trifluoromethyl)phenothiazine;oxalic acid
Names & synonyms
33492-21-6Phenothiazine, 10-(3-(octahydro-2H-pyrido(1,2-a)pyrazin-2-yl)propyl)-2-(trifluoromethyl)-, maleate (1:2)RefChem:369508DTXSID10955118Oxalic acid--10-[3-(octahydro-2H-pyrido[1,2-a]pyrazin-2-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine (2/1)
Database identifiers
- CAS
33492-21-6- PubChem CID
- 214577
- DTXSID
DTXSID10955118
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 675
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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