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(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester | CAS No. 171596-43-3

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

Basic Information

Chemical_Structure_Of
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CAS Number

171596-43-3

Molecular Formula

C20H18N2O4

Molecular Weight

350.37 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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COC(=O)C1CC2=C(C(N1)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25

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

InChIKey

LIPVUDSNGRJSQE-YJBOKZPZSA-N

LogP

2.6733000000000002

Topological Polar Surface Area

72.58000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

544

Synonyms & References

English

  • (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-cis)-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-1,2,3,4-tetrahydro-1-(3,4-Methylenedioxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate HYDROCHLORIDE
  • (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl
  • (1S,3S)-1-(1,3-BENZODIOXOL-5-YL)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID METHYL ESTER,LIGHT BROWN F...
  • Methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-β-c arboline-3-carboxylate
  • trans-3-Aminocyclopentanecarboxylic acid
  • Tadalafil Impurity 1
  • Tadalafil Impurity 11
  • Methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-2-c arboline-3-carboxylate
  • (1S,3S)-METHYL-1,2,3,4-TETRAHYDRO-1-(3,4-METHYLENEDIOXYPHENYL)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE
  • (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester HCl
  • 171596-43-3
  • 1H-Pyrido[3,4-b]indole-3-carboxylicacid, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-methylester,(1R,3R)-
  • METHYL (1S,3S)-1-(2H-1,3-BENZODIOXOL-5-YL)-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE
  • CS-0166256
  • CHEMBL4649538
  • methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
  • LIPVUDSNGRJSQE-YJBOKZPZSA-N
  • (1S,3S)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
  • H9RA8TW3LC
  • (1S,3S)-methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate? (Tadalafil Impurity
  • DTXSID001117222
  • SCHEMBL3866508
  • DB-299481
  • 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, methyl ester, (1S,3S)-
  • cis-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
  • methyl (1S,3S)-1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

MDL Number

MFCD27918678

FAQ

What is (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester (CAS: 171596-43-3)?
(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester is a complex organic compound with a unique structure. It contains a pyridoindole core with a 1,3-benzodioxole ring attached to the 5-position. This compound is often used in pharmaceutical research for its potential biological activity.

What are the main uses of (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester (CAS: 171596-43-3)?
(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester is primarily used in pharmaceutical research for its potential as a selective serotonin reuptake inhibitor (SSRI) and as a lead compound in drug discovery. It may also have applications in other areas of chemistry and biochemistry.

Is (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester (CAS: 171596-43-3) safe?
The safety of (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester depends on its intended use. While it shows potential as a pharmaceutical compound, it is not commercially available for consumer use. Proper handling and storage are essential to avoid any adverse effects. Always follow safety guidelines and consult a professional chemist for detailed safety information.

How should (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester (CAS: 171596-43-3) be stored?
(1S,3,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester should be stored in a cool, dark place to protect it from light and moisture. Maintain a temperature below 25°C and keep it away from direct sunlight. Store in a well-ventilated area and use a tightly sealed container to prevent degradation. Follow all relevant safety guidelines and consult a professional chemist for further storage recommendations.

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Supplier Information

Hubei Rieno Pharmaceutical Technology Co., Ltd.

CAS Number: 171596-43-3

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(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester — Jin Jinle (Hunan) Chemical Co., Ltd.

Jin Jinle (Hunan) Chemical Co., Ltd.

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(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester — ShenZhenAiTaHuaXue Co Ltd

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(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester — Hubei Yangxin Pharmaceutical Technology Co., Ltd.

Hubei Yangxin Pharmaceutical Technology Co., Ltd.

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(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester — Shanghai Yuyeh Biotechnology Co., Ltd.

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(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester — ShenZhenZhenJiangShengWuJiShu Co Ltd

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(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester — HuangDanYongXin Biotechnology Co Ltd

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