(2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Basic Information

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CAS Number

51481-65-3

Molecular Formula

C21H25N5O8S2

Molecular Weight

539.59 g/mol

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

156-164°C

Boiling Point

655.5°C at 760 mmHg

Density

1.63

Flash Point

350.2°C

Refractive Index

1.569

SMILES

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CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(C3=O)S(=O)(=O)C)c4ccccc4)C(=O)N2[C@H]1C(=O)O

InChI

InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1

InChIKey

YPBATNHYBCGSSN-VWPFQQQWSA-N

LogP

-0.23379999999999784

Topological Polar Surface Area

173.49999999999997 Å²

Hydrogen Bond Donor/Acceptor

3 / 13

Complexity

1080

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Mezlocillin
3,3-dimethyl-7-((2-((3-methylsulfonyl-2-oxo-imidazolidin-1-yl)carbonylamino)-2-phenyl-acetyl)amino)-6-oxo-2-thia-5-azabicyclo(3.2.0)heptane-4-carboxylic acid
antibioticbay-f1353
Melocillin sodium
Meloxacam acid
Mezlocillin sodium
Multocillin
3,3-Dimethyl-7-[[2-[(3-methylsulfonyl-2-oxo-imidazolidin-1-yl)carbonylamino]-2-phenyl-acetyl]amino]-6-oxo-2-thia-5-azabicyclo[3.2.0]heptane-4-carboxylic acid

MDL Number

MFCD00056866

FAQ

What is (2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 51481-65-3)?

This is a complex organic compound with a unique structure, characterized by its chiral centers and functional groups. It has a molecular formula that includes carbon, hydrogen, nitrogen, sulfur, and oxygen atoms. This compound is primarily used in pharmaceutical research and development due to its specific biological activities.

What are the main uses of (2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 51481-65-3)?

Its main applications include use as a research tool in pharmaceuticals, particularly in the development of new drugs. It may also have potential applications in other fields such as medical research, but its primary use is in drug discovery and development.

Is (2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 51481-65-3) safe?

This compound is safe when handled according to proper safety guidelines. It is important to use appropriate personal protective equipment, such as gloves and goggles, and to store it in a secure, well-ventilated area. Exposure should be minimized and proper waste disposal procedures should be followed.

How should (2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 51481-65-3) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. It is also important to ensure the storage area is well-ventilated to avoid inhalation risks. Proper labeling and documentation are essential for safe handling and storage.