CAS 171596-44-4: Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Description: Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is a complex organic compound characterized by its unique bicyclic structure, which incorporates both a pyridoindole and a benzodioxole moiety. This compound features a tetrahydro-pyrido[3,4-b]indole framework, indicating it has a fused ring system that contributes to its potential biological activity. The presence of the methyl ester functional group suggests it may exhibit lipophilic properties, enhancing its ability to cross biological membranes. The stereochemistry, denoted by the (1R,3S) configuration, implies specific spatial arrangements of atoms that can influence the compound's interaction with biological targets, potentially affecting its pharmacological profile. This compound has garnered interest in medicinal chemistry, particularly for its potential applications in neuropharmacology and as a lead compound for developing therapeutic agents. Its CAS number, 171596-44-4, allows for precise identification and facilitates research and regulatory processes related to its use and study.

Formula: C₂₀H₁₈N₂O₄

InChI: InChI=1S/C20H18N2O4/c1-24-20(23)15-9-13-12-4-2-3-5-14(12)21-19(13)18(22-15)11-6-7-16-17(8-11)26-10-25-16/h2-8,15,18,21-22H,9-10H2,1H3/t15-,18+/m0/s1

InChI key: InChIKey=LIPVUDSNGRJSQE-MAUKXSAKSA-N

SMILES: O=C(OC)C1NC(C2=CC=C3OCOC3=C2)C=4NC=5C=CC=CC5C4C1

Synonyms:

• Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
• 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, methyl ester, (1R-trans)-
• 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, methyl ester, (1R,3S)-
• (1R,3S)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

(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

• Formula: C₂₀H₁₈N₂O₄
• Purity: 95%
• Color and Shape: Solid
• Molecular weight: 350.3679

Tadalafil Impurity 31

CAS: 171596-44-4

• Formula: C₂₀H₁₈N₂O₄
• Color and Shape: White To Off-White Solid
• Molecular weight: 350.37

(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

Applications Tadalafil (T004500) derivative. Used in the preparation of pyrazinopyridoindole derivatives for their PDE5 inhibitory …

• Formula: C₂₀H₁₈N₂O₄
• Color and Shape: Neat
• Molecular weight: 350.37

(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

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• Formula: C₂₀H₁₈N₂O₄
• Purity: Min. 95%
• Molecular weight: 350.37 g/mol