Products 1075727-00-2

CAS 1075727-00-2 appears in our catalog under these names: (1R,2R)-2-(3-(tert-butoxy)-3-oxopropyl)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium benzenesulfonate (1:1), Atracurium Impurity 25 Besylate. Offered by: TRC, Chemat Brand. Available pack sizes: 10mg, 25mg, 50mg, on request.

(1R,2R)-2-(3-(tert-butoxy)-3-oxopropyl)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium benzenesulfonate (1:1)
TRC
  • size: 10mg, 25mg, 50mg
  • Variants: 3
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Atracurium Impurity 25 Besylate
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

Benzenesulfonate;tert-butyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate (CAS 1075727-00-2) is a chemical compound with the molecular formula C34H45NO9S and a molecular weight of 643.8 g/mol. IUPAC name: benzenesulfonate;tert-butyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate. InChIKey: QDYZRXDXBZSEKV-OPMZCBONSA-M.

Identity
Molecular formulaC34H45NO9S
Molecular weight643.8 g/mol
IUPAC namebenzenesulfonate;tert-butyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
InChIKeyQDYZRXDXBZSEKV-OPMZCBONSA-M
SMILESCC(C)(C)OC(=O)CC[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Computed by PubChem (NCBI)

Synonyms: Atracurium Impurity 43, Atracurium Impurity 76, Atracurium Impurity 25 Besylate, Cisatracurium quaternary ammonium salt
Related forms of this compound
benzenesulfonate;tert-butyl 3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate C34H45NO9S
benzenesulfonate;tert-butyl 3-[(1S,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate C34H45NO9S