Basic information
- CAS
57-98-7- Standard SMILES
CCOS(=O)(=O)[O-].CC[N+](C)(C)CC(C)N1c2ccccc2Sc2ccccc21- InChIKey
MOZUPFREZVRCCC-UHFFFAOYSA-M- Molecular formula
- C21H30N2O4S2
- Average molar mass
- 438.6 g/mol
- Monoisotopic mass
- 438.16469979
Names & identifiers
- Preferred name
- WU 2506
- IUPAC
- ethyl-dimethyl-(2-phenothiazin-10-ylpropyl)azanium;ethyl sulfate
Names & synonyms
WU 250657-98-7RefChem:1101067AMMONIUM, ETHYLDIMETHYL(2-PHENOTHIAZIN-10-YLPROPYL)-, ETHYL SULFATE10H-Phenothiazine-10-ethanaminium, N-ethyl-N,N,beta-trimethyl-, ethyl sulfateN-(2-Dimethyl-aethylammonium-1-methylaethyl)-phenothiazin-aethosulfat [German]n-ethyl-n,n-dimethyl-2-(10h-phenothiazin-10-yl)propan-1-aminium ethyl sulfateDTXSID70972487Ethyldimethyl(2-phenothiazin-10-ylpropyl)ammonium ethyl sulfateN-(2-Dimethyl-aethylammonium-1-methylaethyl)-phenothiazin-aethosulfat
Database identifiers
- CAS
57-98-7- PubChem CID
- 6002
- DTXSID
DTXSID70972487
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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