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CAS No.: | 58-34-4 |
---|---|
Name: | thiazinamium metilsulfate |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C18H23N2S•CH3O4S |
Molecular Weight: | 410.558 |
Synonyms: | thiazinamium metilsulfate |
Density: | g/cm3 |
Melting Point: | 206-210° (some dec) |
Boiling Point: | °Cat760mmHg |
Flash Point: | °C |
Safety: | Poison by ingestion and intraperitoneal routes. An antihistamine and anticholinergic agent. When heated to decomposition it emits very toxic fumes of SOx, NH3, and NOx. |
PSA: | 103.35000 |
LogP: | 4.62280 |
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Molecule structure of Multergan (CAS NO.58-34-4):
IUPAC Name: Methyl sulfate; trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium
Molecular Weight: 410.55074 g/mol
Molecular Formula: C19H26N2O4S2
H-Bond Acceptor: 5
Rotatable Bond Count: 3
Exact Mass: 410.133399
MonoIsotopic Mass: 410.133399
Topological Polar Surface Area: 69.7
Heavy Atom Count: 27
Complexity: 420
Canonical SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C.COS(=O)(=O)[O-]
InChI: InChI=1S/C18H23N2S.CH4O4S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;1-5-6(2,3)4/h5-12,14H,13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey: BVIDQAVCCRUFGU-UHFFFAOYSA-M
EINECS of Multergan (CAS NO.58-34-4): 200-376-8
1. | orl-mus LD50:375 mg/kg | MEIEDD Merck Index. 10 (1983),1333. | ||
2. | ipr-mus LDLo:61 mg/kg CLDND* |
Poison by ingestion and intraperitoneal routes. An antihistamine and anticholinergic agent. When heated to decomposition it emits very toxic fumes of SOx, NH3, and NOx.
Multergan (CAS NO.58-34-4) is also named as 3354 R.P. ; Ammonium, trimethyl(1-methyl-2-phenothiazin-10-ylethyl)-,
methyl sulfate ; Methylphenazonium methosulfate ; Methylpromethazinium methylsulfuricum ; Metilsulfate de thiazinamium ; Metilsulfate de thiazinamium [INN-French] ; Metilsulfato de tiazinamio ; Metilsulfato de tiazinamio [INN-Spanish] ; Multezin ; N,N,N,alpha-Tetramethyl-10H-phenothiazine-10-ethanaminium methyl sulfate ; N-(beta-(10-Phenothiazinyl)propyl)trimethylammonium methyl sulfate ; Padisal ; Prothazin methosulfate ; RP 3554 ; Thiazinamii metilsulfas ; Thiazinamii metilsulfas [INN-Latin] ; Thiazinamium methyl sulfate ; Thiazinamium methylsulfate ; Trimethyl (1-methyl-2-phenothiazin-10-ylethyl)ammonium methyl sulfate ; Trimethyl(1-methyl-2-(10-phenothiazinyl)ethyl)ammonium methyl sulfate ; UNII-IA16WBX317 ; Valan .