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

cas: 171596-44-4 — see every product listed under this CAS number, including other names

(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylic Acid Methyl Ester (CAS 171596-44-4) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 25mg, 50mg. Offered by: TRC.

• 2D
• 3D

Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate (CAS 171596-44-4) is a chemical compound with the molecular formula C20H18N2O4 and a molecular weight of 350.4 g/mol. IUPAC name: methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate. InChIKey: LIPVUDSNGRJSQE-MAUKXSAKSA-N.

Identity

Molecular formula	C20H18N2O4
Molecular weight	350.4 g/mol
IUPAC name	methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
InChIKey	LIPVUDSNGRJSQE-MAUKXSAKSA-N
SMILES	COC(=O)[C@@H]1CC2=C([C@H](N1)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25

Computed by PubChem (NCBI)

Synonyms: Tadalafil Impurity 52, LIPVUDSNGRJSQE-MAUKXSAKSA-N, 171596-44-4(free base)

Related forms of this compound

methyl (1S,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate C₂₀H₁₈N₂O₄

methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate C₂₀H₁₈N₂O₄

methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate C₂₀H₁₈N₂O₄

Isomers (same molecular formula)

methyl 1,3-dibenzyl-2,4-dioxopyrimidine-5-carboxylate C₂₀H₁₈N₂O₄

(2S)-4-cyano-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid C₂₀H₁₈N₂O₄

methyl (2R)-2-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indol-3-yl)propanoate C₂₀H₁₈N₂O₄

2-[6-([1,3]dioxolo[4,5-h]isoquinolin-7-yl)-1,3-benzodioxol-5-yl]-N-methylethanamine C₂₀H₁₈N₂O₄

(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid C₂₀H₁₈N₂O₄

(2R)-4-cyano-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid C₂₀H₁₈N₂O₄

2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]ethylidene]indene-1,3-dione C₂₀H₁₈N₂O₄

(2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid C₂₀H₁₈N₂O₄

9H-fluoren-9-ylmethyl N-(2,6-dioxopiperidin-3-yl)carbamate C₂₀H₁₈N₂O₄