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Molecule structure of Mteai (CAS NO.34521-15-8) :
IUPAC Name: triethyl-[2-(N'-methylcarbamimidoyl)sulfanylethyl]azanium bromide hydrobromide
Molecular Weight: 379.1986 g/mol
Molecular Formula: C10H25Br2N3S
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 7
Tautomer Count: 2
Exact Mass: 379.011547
MonoIsotopic Mass: 377.013594
Topological Polar Surface Area: 38.4
Heavy Atom Count: 16
Complexity: 168
Canonical SMILES: CC[N+](CC)(CC)CCSC(=NC)N.Br.[Br-]
InChI: InChI=1S/C10H24N3S.2BrH/c1-5-13(6-2,7-3)8-9-14-10(11)12-4;;/h5-9H2,1-4H3,(H2,11,12);2*1H/q+1;;/p-1
InChIKey of Mteai (CAS NO.34521-15-8) : HHJKRYRWIZEJRS-UHFFFAOYSA-M
1. | ipr-mus LD50:148 mg/kg | CPBTAL Chemical and Pharmaceutical Bulletin. 23 (1975),1639. | ||
2. | scu-mus LD50:172 mg/kg | CPBTAL Chemical and Pharmaceutical Bulletin. 23 (1975),1639. | ||
3. | ivn-mus LD50:99,300 µg/kg | CPBTAL Chemical and Pharmaceutical Bulletin. 23 (1975),1639. |
Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx, NOx, NH3, and Br−.
Mteai (CAS NO.34521-15-8) is also called (2-((Imino(methylamino)methyl)thio)ethyl)triethylammonium bromide hydrobromide ; Ethanaminium, N,N,N-triethyl-2-((imino(methylamino)methyl)thio)-, bromide, monohydrobromide ; N'-Methylamidinothiotriethylcholine bromide hydrobromide ; S-(2-Triethylaminoethyl)-1'-methylisothiuronium bromide hydrobromide ; Ammonium, (2-((imino(methylamino)methyl)thio)ethyl)triethyl-, bromide, monohydrobromide .