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Empirical Formula of Methylxylocholine (CAS NO.363-42-8): C14H26ClNO2
Molecular Weight: 275.8147 g/mol
Structure of Methylxylocholine (CAS NO.363-42-8):
IUPAC Name: 2-(2,6-Dimethylphenoxy)propyl-trimethylazanium chloride hydrate
Canonical SMILES: CC1=C(C(=CC=C1)C)OC(C)C[N+](C)(C)C.O.[Cl-]
InChI: InChI=1S/C14H24NO.ClH.H2O/c1-11-8-7-9-12(2)14(11)16-13(3)10-15(4,5)6;;/h7-9,13H,10H2,1-6H3;1H;1H2/q+1;;/p-1
InChIKey: SVXVIKZOYQPPAH-UHFFFAOYSA-M
1. | orl-mus LDLo:1400 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 129 (1960),17. | ||
2. | ivn-mus LD50:6620 µg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 129 (1960),17. |
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition Methylxylocholine (CAS NO.363-42-8) emits very toxic fumes of NOx, NH3, and Cl−.
Methylxylocholine , its cas register number is 363-42-8. It also can be called 1-Propanaminium, 2-(2,6-dimethylphenoxy)-N,N,N-trimethyl-, chloride, hydrate (9CI) ; Trimethyl(2-(2,6-dimethylphenoxy)propyl)ammonium chloride monohydrate ; and beta-Methylxylocholine .