Products 2245785-75-3

CAS 2245785-75-3 appears in our catalog under these names: Prucalopride Impurity 31, Prucalopride Impurity 59. Offered by: Chemat Brand. Available pack sizes: on request.

Prucalopride Impurity 31
Chemat Brand
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  • Variants: 1
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Prucalopride Impurity 59
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

5-chloro-4-[[(3S,4S,5R)-3-hydroxy-2,5-bis(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]amino]-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (CAS 2245785-75-3) is a chemical compound with the molecular formula C30H46ClN3O13 and a molecular weight of 692.1 g/mol. IUPAC name: 5-chloro-4-[[(3S,4S,5R)-3-hydroxy-2,5-bis(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]amino]-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide. InChIKey: QSSIKKIVQUEFCG-DUMKTDECSA-N.

Identity
Molecular formulaC30H46ClN3O13
Molecular weight692.1 g/mol
IUPAC name5-chloro-4-[[(3S,4S,5R)-3-hydroxy-2,5-bis(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]amino]-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
InChIKeyQSSIKKIVQUEFCG-DUMKTDECSA-N
SMILESCOCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)NC4([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)CO)Cl

Computed by PubChem (NCBI)

Isomers (same molecular formula)
4-amino-5-chloro-N-[(3S,4S,5R)-3-hydroxy-2,5-bis(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide C30H46ClN3O13