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CAS 171596-43-3

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

Description:
Methyl (1S,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 structural features, which include a pyridoindole framework and a benzodioxole moiety. This compound is notable for its potential biological activity, often explored in the context of pharmacological research. The presence of the methyl ester functional group suggests it may exhibit lipophilic properties, enhancing its ability to permeate biological membranes. The stereochemistry indicated by the (1S,3S) configuration implies specific spatial arrangements that can influence its interaction with biological targets. Additionally, the compound's molecular structure may contribute to its solubility and reactivity, making it of interest in medicinal chemistry. Its CAS number, 171596-43-3, allows for precise identification in chemical databases, facilitating research and development efforts. Overall, this compound represents a significant area of study due to its potential applications in drug discovery and development.
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-YJBOKZPZSA-N
SMILES:C(OC)(=O)[C@@H]1CC2=C([C@@H](N1)C=3C=C4C(=CC3)OCO4)NC=5C2=CC=CC5
Synonyms:
  • (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester
  • (1S,3S)-Methyl 1-(benzo[d][1,3]dioxol-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, (1S-cis)-
  • Methyl (1S,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, (1S,3S)-
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