Login

Calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate] | CAS No. 81938-43-4

Calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate]

Basic Information

Chemical_Structure_Of
View in Editor

CAS Number

81938-43-4

Molecular Formula

C44H44CaN2O8S4

Molecular Weight

897.2 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

246°C

Solubility

DMSO: >5mg/mL

Specific Rotation

-67.6° (c=1,in methanol/HCl)

SMILES

View in Editor

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)[O-])SC3=CC=CC=C3.CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)[O-])SC3=CC=CC=C3.[Ca+2]

InChI

InChI=1S/2C22H23NO4S2.Ca/c2*1-15(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*2-11,15,18-19H,12-14H2,1H3,(H,25,26);/q;;+2/p-2/t2*15-,18+,19+;/m11./s1

InChIKey

NSYUKKYYVFVMST-LETVYOFWSA-L

LogP

7.80660

Complexity

582

Safety Information

View Safety Information

GHS Hazard Pictograms

H410H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

  • Zofenopril calcium (USAN)
  • Z0041
  • calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)pyrrolidine-2-carboxylate]
  • 81938-43-4
  • CHEBI:82600
  • AS-81847
  • R-PROLINE, 1-(3-(BENZOYLTHIO)-2-METHYL-1-OXOPROPYL)-4-(PHENYLTHIO)-, CALCIUM SALT, (1(R*),2.ALPHA.,4.ALPHA.)-
  • DTXCID8028551
  • ZOFENOPRIL CALCIUM
  • Bifril-d5
  • Zofenopril calcium [USAN]
  • ZofenoprilCalcium
  • D03767
  • SQ-26991
  • (4S)-N-((S)-3-MERCAPTO-2-METHYLPROPIONYL)-4-(PHENYLTHIO)-R-PROLINE BENZOATE (ESTER), CALCIUM SALT
  • AC-4336
  • Zofenopril Calcium Salt
  • Zofenopril calcium, >98% (HPLC), powder
  • AKOS015840019
  • Tox21_112966
  • Q27156118
  • Zofenopril (calcium)
  • 88ZQ329PU2
  • CHEMBL2105776
  • Q-101025
  • [1(S),4(S)]-1-(3-Mercapto-2-methyl-1-oxopropyl)-4-phenyl-thio-L-proline-S-benzoyl Ester Calcium Salt
  • calcium (2S,4S)-1-((S)-3-(benzoylthio)-2-methylpropanoyl)-4-(phenylthio)pyrrolidine-2-carboxylate
  • (4S)-N-((S)-3-Mercapto-2-methylpropionyl)-4-(phenylthio)-L-proline benzoate (ester), calcium salt
  • Zoprace (TN)
  • AKOS015967030
  • A840224

MDL Number

MFCD11858294

FAQ

What regulatory guidelines apply to Calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate] (CAS: 81938-43-4)?
Calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate] (CAS: 81938-43-4) falls under the GHS classification for health hazards, and is subject to REACH regulations for registration, evaluation, authorization, and restriction of chemicals in the European Union. It must comply with FDA and EPA guidelines in the United States, including proper labeling, storage, and disposal methods to ensure safety in manufacturing and distribution.

Are there alternatives to Calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate] (CAS: 81938-43-4) in synthesis?
Alternatives to Calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate] (CAS: 81938-43-4) in synthesis include using isomers or analogous compounds with similar functional groups, such as other pyrrolidine derivatives or similar sulfur-containing carboxylates. These alternatives can offer similar properties but may require different synthetic routes and reagents.

What is the market or research trend for Calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate] (CAS: 81938-43-4)?
The market and research trends for Calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate] (CAS: 81938-43-4) indicate increasing interest in its potential applications in pharmaceuticals and fine chemicals. Research is focusing on its efficacy and safety in drug development, as well as exploring alternative synthetic methods and its use in various chemical reactions.

How should waste containing Calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate] (CAS: 81938-43-4) be handled?
Waste containing Calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate] (CAS: 81938-43-4) should be collected in appropriately labeled containers and disposed of through professional waste disposal services. Incineration and chemical treatment methods should be employed under controlled conditions to ensure environmental safety, following local regulations and guidelines for hazardous waste management.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...

Supplier Information

Hubei Shixing Chemical Co., Ltd.

CAS Number: 81938-43-4

View Details

Shanghai Aladdin Bio-Technologies Co., Ltd.

CAS Number: 81938-43-4

View Details

TICO (Shanghai) Chemical Industry Development Co., Ltd.

CAS Number: 81938-43-4

View Details

Shanghai Mofu Medicine Technology Co., Ltd.

CAS Number: 81938-43-4

View Details

Shanghai New Union Textra Import & Export Co., Ltd.

CAS Number: 81938-43-4

View Details

Wuhan HuJiu Medicine Technology Co., Ltd.

CAS Number: 81938-43-4

View Details
Calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate] — Hefei Liangfang Pharmaceutical Co., Ltd.

Hefei Liangfang Pharmaceutical Co., Ltd.

CAS Number: 81938-43-4

View Details

Nantong Zhonghe Chemical New Materials Co., Ltd.

CAS Number: 81938-43-4

View Details

Hubei Hanwei Chemical Co., Ltd.

CAS Number: 81938-43-4

View Details
Calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate] — Shanghai Titan Shareholding Technology Co., Ltd.

Shanghai Titan Shareholding Technology Co., Ltd.

CAS Number: 81938-43-4

View Details
Calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate] — HePeng （ ShangHai ） Biotechnology Co Ltd

HePeng （ ShangHai ） Biotechnology Co Ltd

CAS Number: 81938-43-4

View Details

Shanghai Bohui Meike Chemical Technology Co., Ltd.

CAS Number: 81938-43-4

View Details

Shanghai Likeke Drug Chemistry Co., Ltd.

CAS Number: 81938-43-4

View Details

JiNaShiSanYuan Chemical Co Ltd

CAS Number: 81938-43-4

View Details

WuHanDongKangYuan Technology Co Ltd

CAS Number: 81938-43-4

View Details

This website uses cookies to ensure basic functionality and enhance your experience. We use:

  • Essential cookies: Required for core site features (authentication, security). These cannot be disabled.
  • Analytics cookies: Help us understand site usage to improve our service.

You can change your preferences at any time in our Privacy Settings. See our Privacy Policy for more details.