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(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid hydrochloride (1:1) | CAS No. 195733-43-8

(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid hydrochloride (1:1)

Basic Information

Chemical_Structure_Of
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CAS Number

195733-43-8

Molecular Formula

C29H39ClN2O6

Molecular Weight

547.09 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
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
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4.Cl

InChI

InChI=1S/C29H38N2O6.ClH/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20;/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34);1H/t23-,27-,28+;/m1./s1

InChIKey

IJFUJIFSUKPWCZ-SQMFDTLJSA-N

LogP

5.1158000000000055

Topological Polar Surface Area

88.54 Ų

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

734

Synonyms & References

English

  • 3-PYRROLIDINECARBOXYLIC ACID, 4-(1,3-BENZODIOXOL-5-YL)-1-(2-(DIBUTYLAMINO)-2-OXOETHYL)-2-(4-METHOXYPHENYL)-, MONOHYDROCHLORIDE, (2R-(2.ALPHA.,3.BETA.,4.ALPHA.))
  • Atrasentan hydrochloride
  • DTXSID20173240
  • CS-1373
  • ATRASENTAN HYDROCHLORIDE [MI]
  • 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)-, monohydrochloride, (2R,3R,4S)-
  • A930316
  • (2R,3R,4S)-4-(benzo[d][1,3]dioxol-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride.
  • ABBOT-147627
  • 195733-43-8
  • (2r,3r,4s)-(+)-2-(4-methoxyphenyl)-4-(1,3-benzodioxol-5-yl)-1-(n,n-di(n-butyl)aminocarbonylmethyl)-pyrrolidine-3-carboxylic acid hydrochloride salt
  • Atrasentan (hydrochloride)
  • E4G31X93ZA
  • Atrasentan HCl
  • Atrasentan hydrochloride, >=98% (HPLC)
  • (2R,3R,4S)-4-(Benzo[d][1,3]dioxol-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride
  • 3-Pyrrolidinecarboxylicacid,4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-,hydrochloride (1:1), (2R,3R,4S)-
  • A 147627.1
  • HY-15403A
  • D82853
  • ABT-627
  • Atrasentan hydrochloride (USAN)
  • ATRASENTAN HYDROCHLORIDE [MART.]
  • (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
  • ABT-627 (hydrochloride);(+)-A 127722 (hydrochloride);A-147627 (hydrochloride)
  • EX-A4175
  • IJFUJIFSUKPWCZ-SQMFDTLJSA-N
  • (2R,3R,4S)-4-(Benzo[d][1,3]dioxol-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylicacidhydrochloride
  • D03009
  • (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride
  • AKOS027326770

MDL Number

MFCD00191339

FAQ

What regulatory guidelines apply to (2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid hydrochloride (1:1) (CAS: 195733-43-8)?
This compound (CAS: 195733-43-8) falls under the scope of REACH regulations in the EU for chemical safety assessment. In the US, it is covered by FDA and EPA guidelines for chemical import and use. It is important to ensure that the compound is handled in compliance with local and international chemical safety standards and regulations.

Are there alternatives to (2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid hydrochloride (1:1) in synthesis?
Alternative synthesis routes may include using other pyrrolidine derivatives or related chemical compounds. Common substitutes include various amines, carboxylic acids, and other functionalized groups. These alternatives can offer similar functionalities but may vary in reactivity and efficiency.

What is the market or research trend for (2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid hydrochloride (1:1) (CAS: 195733-43-8)?
There is growing interest in this compound for its potential applications in pharmaceuticals and materials science. Recent research trends focus on understanding its biological activity and exploring its use in drug discovery. Market trends suggest increasing demand as more studies validate its efficacy and safety.

How should waste containing (2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid hydrochloride (1:1) (CAS: 195733-43-8) be handled?
Waste containing this compound should be collected in appropriate containers and handled according to local hazardous waste regulations. Incineration or professional waste disposal methods are recommended. Ensure proper labeling and documentation. Environmental protection precautions should include minimizing exposure to water sources and air to prevent contamination.

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(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid hydrochloride (1:1) — ShenZhenAiTaHuaXue Co Ltd

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(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid hydrochloride (1:1) — MedChemExpress LLC

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(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid hydrochloride (1:1) — Shanghai Jixiang Biotechnology Co., Ltd.

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