Basic information
- CAS
33492-19-2- Standard SMILES
O=C(O)C(=O)O.O=C(O)C(=O)O.c1ccc2c(c1)Sc1ccccc1N2CCCN1CCN2CCCCC2C1- InChIKey
PKHMUPRBGWAHCC-UHFFFAOYSA-N- Molecular formula
- C27H33N3O8S
- Average molar mass
- 559.6 g/mol
- Monoisotopic mass
- 559.19883619
Names & identifiers
- Preferred name
- Phenothiazine, 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]phenothiazine;oxalic acid
Names & synonyms
10-(3-(Octahydro-2H-pyrido(1,2-a)pyrazin-2-yl)propyl)phenothiazine maleate33492-19-2Phenothiazine, 10-(3-(octahydro-2H-pyrido(1,2-a)pyrazin-2-yl)propyl)-, maleate (1:2)RefChem:369507DTXSID90955116Oxalic acid--10-[3-(octahydro-2H-pyrido[1,2-a]pyrazin-2-yl)propyl]-10H-phenothiazine (2/1)
Database identifiers
- CAS
33492-19-2- PubChem CID
- 214573
- DTXSID
DTXSID90955116
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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