Basic information
- CAS
63992-07-4- Standard SMILES
CC[N+](CC)(CCCCCC[N+](CC)(CC)CCN1c2ccccc2Sc2ccccc21)CCN1c2ccccc2Sc2ccccc21.[Br-].[Br-]- InChIKey
JPEOONAIYXUZTI-UHFFFAOYSA-L- Molecular formula
- C42H56Br2N4S2
- Average molar mass
- 840.9 g/mol
- Monoisotopic mass
- 838.23132
Names & identifiers
- Preferred name
- Ammonium, hexamethylenebis(diethyl-(beta-(10-phenothiazinyl)ethyl)-, dibromide
- IUPAC
- 6-[diethyl(2-phenothiazin-10-ylethyl)azaniumyl]hexyl-diethyl-(2-phenothiazin-10-ylethyl)azanium dibromide
Names & synonyms
63992-07-4AMMONIUM, HEXAMETHYLENEBIS(DIETHYL-(beta-(10-PHENOTHIAZINYL)ETHYL)-, DIBROMIDEHexamethylenebis(diethyl-(beta-(10-phenothiazinyl)ethyl)ammonium bromide)RefChem:319392DTXSID60981861AKOS024360404ST50990323{6-[diethyl(2-phenothiazin-10-ylethyl)amino]hexyl}diethyl(2-phenothiazin-10-yl ethyl)amine, bromide, bromideN~1~,N~1~,N~6~,N~6~-Tetraethyl-N~1~,N~6~-bis[2-(10H-phenothiazin-10-yl)ethyl]hexane-1,6-bis(aminium) dibromide
Database identifiers
- CAS
63992-07-4- PubChem CID
- 46303
- DTXSID
DTXSID60981861
Properties
Computed structural properties
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 821
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…