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(4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline | CAS No. 81872-10-8

(4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline

Basic Information

Chemical_Structure_Of
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CAS Number

81872-10-8

Molecular Formula

C22H23NO4S2

Molecular Weight

429.56 g/mol

AD

Chemical Classification

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

Basic Physical Properties

Melting Point

129-131.5 °C

Boiling Point

646.3 °C at 760 mmHg

Density

1.34

Flash Point

344.7 °C

Refractive Index

1.658

Specific Rotation

D25 -36.5° (c = 1 in methanol)

SMILES

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CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1

InChIKey

IAIDUHCBNLFXEF-MNEFBYGVSA-N

LogP

4.042500000000003

Topological Polar Surface Area

74.68 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

587

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • CAS-81872-10-8
  • (2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid
  • CHEBI:78539
  • DTXSID0046640
  • (2S,4S)-1-((S)-3-(Benzoylthio)-2-methylpropanoyl)-4-(phenylthio)pyrrolidine-2-carboxylic acid
  • ZOFENOPRIL [INN]
  • EN300-7481436
  • CS-7911
  • R-PROLINE, 1-(3-(BENZOYLTHIO)-2-METHYL-1-OXOPROPYL)-4-(PHENYLTHIO)-, (1(R*),2.ALPHA.,4.ALPHA.)-
  • CHEMBL331378
  • Tox21_112459
  • Zofenopril (INN)
  • NS00068022
  • Zofenil
  • (2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)pyrrolidine-2-carboxylic acid
  • zofenopril-calcium
  • Zofenoprilum
  • Zofenoprilum [Latin]
  • Zofenopril
  • BDBM50084629
  • 1-[3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)proline
  • D08688
  • 1-(3-Benzoylsulfanyl-2-methyl-propionyl)-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid(zofenopril)
  • NCGC00167455-02
  • (4S)-N-((S)-3-MERCAPTO-2-METHYLPROPIONYL)-4-(PHENYLTHIO)-R-PROLINE BENZOATE (ESTER)
  • (2S,4S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid
  • Zofenopril [INN:BAN]
  • ZOFENOPRIL [MI]
  • Tox21_112459_1
  • (4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline
  • SCHEMBL37298

MDL Number

MFCD00870957

FAQ

What regulatory guidelines apply to (4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline (CAS: 81872-10-8)?
The compound (4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline (CAS: 81872-10-8) is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations by the European Union, and FDA/EPA guidelines for the handling and use of chemicals. These guidelines ensure safety in handling, storage, and disposal, and compliance with environmental and occupational health standards.

Are there alternatives to (4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline (CAS: 81872-10-8) in synthesis?
There are several alternatives to (4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline (CAS: 81872-10-8) in synthesis, including other sulfonamides and related proline derivatives. These alternatives can offer similar functional groups but with different reactivity profiles, allowing for various synthetic routes and applications.

What is the market or research trend for (4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline (CAS: 81872-10-8)?
The market for (4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline (CAS: 81872-10-8) is growing due to its role in drug development and pharmaceutical applications. Research trends are focusing on its potential as a medicinal compound and its use in developing novel therapeutics. Market dynamics include increasing demand from the pharmaceutical sector and emerging applications in biotechnology.

How should waste containing (4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline (CAS: 81872-10-8) be handled?
Waste containing (4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline (CAS: 81872-10-8) should be collected in appropriate containers and stored separately. Proper disposal methods include incineration or professional waste disposal services, ensuring compliance with environmental regulations. Protective measures and safety precautions must be strictly followed to prevent environmental contamination and ensure worker safety.

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(4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline — Hubei Zhenbo Chemical Industry Co., Ltd.

Hubei Zhenbo Chemical Industry Co., Ltd.

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