Basic Information | Post buying leads | Suppliers |
Name |
Cuscohygrine bis(methyl benzenesulfonate) |
EINECS | N/A |
CAS No. | 62355-03-7 | Density | N/A |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H30N2O•C12H10O6S2 | Boiling Point | N/A |
Molecular Weight | 568.81 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by intraperitoneal route. See also SULFONATES. When heated to decomposition it emits very toxic fumes of NOx and SOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
Molecule structure of Cuscohygrine bis(methyl benzenesulfonate) (CAS NO.62355-03-7):
IUPAC Name: Benzenesulfonate; 1,3-bis(1,1-dimethylpyrrolidin-1-ium-2-yl)propan-2-one
Molecular Weight: 568.7457 g/mol
Molecular Formula: C27H40N2O7S2
H-Bond Acceptor: 7
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 568.227693
MonoIsotopic Mass: 568.227693
Topological Polar Surface Area: 132
Heavy Atom Count: 38
Complexity: 463
Canonical SMILES: C[N+]1(CCCC1CC(=O)CC2CCC[N+]2(C)C)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C
(C=C1)S(=O)(=O)[O-]
InChI: InChI=1S/C15H30N2O.2C6H6O3S/c1-16(2)9-5-7-13(16)11-15(18)12-14-8-6-10-17(14,3)4;2*7-10(8,9)6-4-2-1-3-5-6/h13-14H,5-12H2,1-4H3;2*1-5H,(H,7,8,9)/q+2;;/p-2
InChIKey: PXPFIOWNUZGUIV-UHFFFAOYSA-L
Classification Code of Cuscohygrine bis(methyl benzenesulfonate) (CAS NO.62355-03-7): Drug / Therapeutic Agent
1. | ipr-mus LD50:117 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 11 (1977),478. | ||
2. | ipr-cat LD50:117 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 11 (1977),135. |
Poison by intraperitoneal route. See also SULFONATES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Cuscohygrine bis(methyl benzenesulfonate) (CAS NO.62355-03-7) is also named as 1,3-Bis(N,N-dimethyl-2-pyrrolidinium)propane dibenzenesulfonate ; 2,2'-(2-Oxo-trimethylene)bis(1,1-dimethylpyrrolidinium) dibenzenesulfonate ; Pyrrolidinium, 2,2'-(2-oxotrimethylene)bis(1,1-dimethyl-, dibenzenesulfonate .