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| CAS No.: | 62209-22-7 |
|---|---|
| Name: | CUSCOHYGRINE DIMETHYLIODIDE |
| Molecular Structure: | |
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| Formula: | C15H30N2O•I2 |
| Molecular Weight: | 508.27 |
| Safety: | Poison by intraperitoneal route. See also IODIDES. When heated to decomposition it emits very toxic fumes of NOx and I−. |
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Chemistry
Molecule structure of Cuscohygrine dimethyliodide (CAS NO.62209-22-7):
IUPAC Name: 1-[(2S)-1,1-Dimethylpyrrolidin-1-ium-2-yl]-3-[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]propan-2-one diiodide
Molecular Weight: 508.22044 g/mol
Molecular Formula: C15H30I2N2O
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 508.04475
MonoIsotopic Mass: 508.04475
Topological Polar Surface Area: 17.1
Heavy Atom Count: 20
Complexity: 293
Defined Atom StereoCenter Count: 2
Canonical SMILES: C[N+]1(CCCC1CC(=O)CC2CCC[N+]2(C)C)C.[I-].[I-]
Isomeric SMILES: C[N+]1(CCC[C@@H]1CC(=O)C[C@@H]2CCC[N+]2(C)C)C.[I-].[I-]
InChI: InChI=1S/C15H30N2O.2HI/c1-16(2)9-5-7-13(16)11-15(18)12-14-8-6-10-17(14,3)4;;/h13-14H,5-12H2,1-4H3;2*1H/q+2;;/p-2/t13-,14+;;
InChIKey: IKPSUEJBFKOOII-DUFSSLHGSA-L
Classification Code of Cuscohygrine dimethyliodide (CAS NO.62209-22-7): Drug / Therapeutic Agent
Toxicity Data With Reference
| 1. | ipr-mus LD50:111 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 11 (1977),478. | ||
| 2. | ipr-cat LD50:111 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 11 (1977),135. |
Safety Profile
Poison by intraperitoneal route. See also IODIDES. When heated to decomposition it emits very toxic fumes of NOx and I−.
Specification
Cuscohygrine dimethyliodide (CAS NO.62209-22-7) is also named as 1,3-Bis(N,N-dimethyl-2-pyrrolidinium)propanone diiodide ; 1,3-Bis(N-methyl-2-pyrrolidino)propanone dimethiodide ; 2,2'-(2-Oxo-trimethylene)bis(1,1-dimethylpyrrolidinium)
diiodide ; Cuscohygrin dimethiodide ; Kuskgigrin dimethiodide ; Pyrrolidinium, 2,2'-(2-oxo-1,3-propanediyl)bis(1,1-dimethyl-
, diiodide, (R*,S*)- (9CI) ; Pyrrolidinium, 2,2'-(2-oxotrimethylene)bis(1,1-dimethyl-, diiodide .