英文别名 | ;Nizatidine-d3 Sulfoxide |
CAS号 | 1795136-43-4 |
SMILES | C([2H])([2H])([2H])N/C(=C\[N+](=O)[O-])/NCCS(=O)CC1=CSC(=N1)CN(C)C
[2H]C([2H])([2H])N/C(=C\[N+](=O)[O-])/NCCS(=O)Cc1csc(n1)CN(C)C |
Inchi | InChI=1S/C12H21N5O3S2/c1-13-11(6-17(18)19)14-4-5-22(20)9-10-8-21-12(15-10)7-16(2)3/h6,8,13-14H,4-5,7,9H2,1-3H3/b11-6+/i1D3 |
InchiKey | TZKMWRJRDCJAFI-OFYUJABRSA-N |
分子式 Formula | C12H18D3N5O3S2 |
分子量 Molecular Weight | 350.48 |
闪点 FP | 299.3±30.1 ℃ |
沸点 Boiling point | 571.2±50.0 ℃ at 760 mmHg |
Polarizability极化度 | 36.0±0.5 10-24cm3 |
密度 Density | 1.3±0.1 g/cm3 |
蒸汽压 Vapor Pressure | 0.0±1.6 mmHg at 25℃ |
储藏条件 Storage conditions | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |