rel-Chloropretadalafil

cas: 171596-58-0 — see every product listed under this CAS number, including other names

rel-Chloropretadalafil (CAS 171596-58-0) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-B276723-100MG
cas171596-58-0
size100mg
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Structural formula: {0} (CAS {1})

Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate (CAS 171596-58-0) is a chemical compound with the molecular formula C22H19ClN2O5 and a molecular weight of 426.8 g/mol. IUPAC name: methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate. InChIKey: JUKHNCNDFOAFLT-IIBYNOLFSA-N.

Identity
Molecular formulaC22H19ClN2O5
Molecular weight426.8 g/mol
IUPAC namemethyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
InChIKeyJUKHNCNDFOAFLT-IIBYNOLFSA-N
SMILESCOC(=O)[C@H]1CC2=C([C@H](N1C(=O)CCl)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25

Computed by PubChem (NCBI)

Synonyms: Chloropretadalafil, rel-Chloropretadalafil, C22H19ClN2O5, Tadalafil Impurity 17, Tadalafil Impurity 37, 2,5-dimethoxy, (Chloropretadalafil), orb3143675, JUKHNCNDFOAFLT-IIBYNOLFSA-N
Related forms of this compound
methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate C22H19ClN2O5
methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate C22H19ClN2O5
methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate C22H19ClN2O5
methyl (1S,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate C22H19ClN2O5