Products 96946-44-0
CAS 96946-44-0 appears in our catalog under these names: Atracurium Besylate Impurity 34, (1R,2R,1’R,2’S)-Atracurium Besylate, >90%. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 10mg, 1mg, 5mg.
Benzenesulfonate;5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate (CAS 96946-44-0) is a chemical compound with the molecular formula C65H82N2O18S2 and a molecular weight of 1243.5 g/mol. IUPAC name: benzenesulfonate;5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate. InChIKey: XXZSQOVSEBAPGS-VTMDYJILSA-L.
| Molecular formula | C65H82N2O18S2 |
|---|---|
| Molecular weight | 1243.5 g/mol |
| IUPAC name | benzenesulfonate;5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate |
| InChIKey | XXZSQOVSEBAPGS-VTMDYJILSA-L |
| SMILES | C[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-] |
Computed by PubChem (NCBI)
Synonyms:
(1R,2R,1'R,2'S)-Atracurium Besylate, Cisatracurium Besylate EP Impurity H, Atracurium besylate, (1R,2R,1'R,2'S)-(+/-)-, Atracurium Impurity 53, (1R,2R,1'R,2'S)-Atracurium Besylate, >90%, Cisatracurium EP Impurity H, starbld0039382, Atracurium Besylate Impurity 34, 96946-44-0 (Absolute), 1599467-97-6 (Relative)