Basic information
- CAS
33492-20-5- Standard SMILES
Clc1ccc2c(c1)N(CCCN1CCN3CCCCC3C1)c1ccccc1S2.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
XYRQMMLEWMMHNZ-UHFFFAOYSA-N- Molecular formula
- C27H32ClN3O8S
- Average molar mass
- 594.1 g/mol
- Monoisotopic mass
- 593.1598639
Names & identifiers
- Preferred name
- Phenothiazine, 2-chloro-10-(3-(octahydro-2H-pyrido(1,2-a)pyrazin-2-yl)propyl)-, maleate (1:2)
- IUPAC
- 10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-2-chlorophenothiazine;oxalic acid
Names & synonyms
33492-20-52-Chloro-10-(3-(octahydro-2H-pyrido(1,2-a)pyrazin-2-yl)propyl)phenothiazine maleatePhenothiazine, 2-chloro-10-(3-(octahydro-2H-pyrido(1,2-a)pyrazin-2-yl)propyl)-, maleate (1:2)RefChem:369541DTXSID50955117Oxalic acid--2-chloro-10-[3-(octahydro-2H-pyrido[1,2-a]pyrazin-2-yl)propyl]-10H-phenothiazine (2/1)
Database identifiers
- CAS
33492-20-5- PubChem CID
- 214575
- DTXSID
DTXSID50955117
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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