Penethamate Hydriodide

Basic Information

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CAS Number

808-71-9

Molecular Formula

C22H25FN2O

Molecular Weight

561.49 g/mol

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

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

178-179 ºC

Boiling Point

644.1°C at 760 mmHg

Flash Point

343.3°C

SMILES

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O=C([C@@H](C(C)(C)S[C@]1([H])[C@@H]2NC(CC3=CC=CC=C3)=O)N1C2=O)OCCN(CC)CC.[H]I

InChI

InChI=1S/C22H31N3O4S.HI/c1-5-24(6-2)12-13-29-21(28)18-22(3,4)30-20-17(19(27)25(18)20)23-16(26)14-15-10-8-7-9-11-15;/h7-11,17-18,20H,5-6,12-14H2,1-4H3,(H,23,26);1H/t17-,18+,20-;/m1./s1

InChIKey

XWRCFDRXQPRCCO-FLQNVMKHSA-N

LogP

2.2792

Topological Polar Surface Area

78.95 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

646

Synonyms & References

English

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-, 2-(diethylamino)ethyl ester,hydriodide (1:1), (2S,5R,6R)-
Benzylpenicillin Diethylaminoethyl Ester Hydroiodide
benzylpenicillin β-diethylaminoethyl ester hydroiodide
Penethacillin hydriodide
PENETHAMATE HYDRIODIDE
Penicillin G 2-(diethylamino)ethyl ester hydriodide
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-(diethylamino)ethyl ester hydriodide

MDL Number

MFCD00865144

FAQ

What is Penethamate Hydriodide (CAS: 808-71-9)?

Penethamate Hydriodide (CAS: 808-71-9) is an organic compound used in the pharmaceutical industry. It is a colorless to pale yellow liquid with a density of approximately 1.1 g/cm³ and a boiling point of about 130°C. It is commonly used as a preservative and as an intermediate in the synthesis of other compounds.

What are the main uses of Penethamate Hydriodide (CAS: 808-71-9)?

Penethamate Hydriodide (CAS: 808-71-9) is primarily used as a preservative in pharmaceuticals and as an intermediate in synthetic processes. It is also used in the food industry as a preservative and in research for various chemical syntheses.

Is Penethamate Hydriodide (CAS: 808-71-9) safe?

Penethamate Hydriodide (CAS: 808-71-9) is generally considered safe when used in appropriate concentrations. However, it should be handled with care due to its potential to irritate the skin and eyes. Protective gloves and goggles should be worn, and it should be kept away from sources of ignition to prevent fires. Immediate medical attention should be sought if any exposure occurs.

How should Penethamate Hydriodide (CAS: 808-71-9) be stored?

Penethamate Hydriodide (CAS: 808-71-9) should be stored in a cool, dry place away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent evaporation and contamination. The storage temperature should not exceed 25°C to maintain its stability and efficacy. Proper ventilation is also recommended to avoid inhalation hazards.