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58-34-4

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Basic Information
CAS No.: 58-34-4
Name: thiazinamium metilsulfate
Article Data: 2
Molecular Structure:
Molecular Structure of 58-34-4 (thiazinamium metilsulfate)
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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Chemistry

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

Toxicity Data With Reference

1.    

orl-mus LD50:375 mg/kg

     MEIEDD    Merck Index. 10 (1983),1333.
2.    

ipr-mus LDLo:61 mg/kg CLDND*

Safety Profile

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.

Specification

 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 .