(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylic Acid Methyl Ester

cas: 629652-44-4 — see every product listed under this CAS number, including other names

(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylic Acid Methyl Ester (CAS 629652-44-4) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg, 100mg. Offered by: TRC, Biosynth.

• 2D
• 3D

Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate (CAS 629652-44-4) is a chemical compound with the molecular formula C22H19ClN2O5 and a molecular weight of 426.8 g/mol. IUPAC name: methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate. InChIKey: JUKHNCNDFOAFLT-HRAATJIYSA-N.

Identity

Molecular formula	C22H19ClN2O5
Molecular weight	426.8 g/mol
IUPAC name	methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
InChIKey	JUKHNCNDFOAFLT-HRAATJIYSA-N
SMILES	COC(=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: Tadalafil Impurity 15, (1R,3S)-Chloropretadalafil

Related forms of this compound

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

methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate C₂₂H₁₉ClN₂O₅

Isomers (same molecular formula)

4-[[2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetyl]amino]pyridine-2-carboxylic acid C₂₂H₁₉ClN₂O₅

4-[(1S,3R)-2-(2-chloroacetyl)-3-methoxycarbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid C₂₂H₁₉ClN₂O₅