Sodium (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Basic Information

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CAS Number

59703-84-3

Molecular Formula

C23H26N5NaO7S

Molecular Weight

539.5 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

185°C(dec.)

Boiling Point

707.1°C at 760 mmHg

Density

Water Solubility

Soluble in ethanol, water and methanol.

Flash Point

381.4ºC

Solubility

H2O: 50 mg/mL, clear, colorless to faintly yellow

Refractive Index

180 ° (C=0.8, H2O)

Specific Rotation

+170° to +190° (C=0.8, H2O)

SMILES

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CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/q;+1/p-1/t13-,14-,15+,20-;/m1./s1

InChIKey

WCMIIGXFCMNQDS-IDYPWDAWSA-M

LogP

-0.97950

Complexity

989

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

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 in mice, rats, dogs, monkeys (g/kg): 5, 2.7, >6, >4 i.v. (Takai)

Synonyms & References

English

HMS3714G12
7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
PIPERACILLIN SODIUM (USP MONOGRAPH)
Pipracil Sterile
sodium 6beta-((2R)-2-((4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido)-2-phenylacetamido)-2,2-dimethylpenam-3alpha-carboxylate
Pentcillin (TN)
1-carboxamido)-2-phenylacetamido)-3,3-dimethyl-
DTXSID6048965
PIPERACILLIN SODIUM SALT [MI]
Opera_ID_1140
C07361
Sodium piperacillin
PIPERACILLIN SODIUM [USAN]
ZOSYN COMPONENT PIPERACILLIN SODIUM
Q-201585
Piperacillin Monosodium Salt
SMR000058579
Monosodium (2S,5R,6R)-6-((2R)-2-((4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino)-2-phenylacetylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate
Cl-227193
PIPERACILLIN SODIUM (EP MONOGRAPH)
sodium (2S,5R,6R)-6-((R)-2-(4-ethyl-2,3-dioxopiperazine-
T 1220
Monosodium Salt, Piperacillin
sodium 6beta-{(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylate
Sodium (2S,5R,6R)-6-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CS-4894
CL 227, 193
PIPERACILLIN SODIUM [EP MONOGRAPH]
Penmalin
HMS1570G12
M98T69Q7HP

MDL Number

MFCD00917471

Customs Code

29411099

FAQ

What is Sodium (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 59703-84-3)?

Sodium (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, with the CAS number 59703-84-3, is a complex organic compound containing a bicyclic structure and multiple functional groups, including carboxylate, amino, and thia moieties. It is typically used in specialized chemical applications due to its structural complexity and potential reactivity.

What are the main uses of Sodium (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 59703-84-3)?

This compound is primarily used in pharmaceutical research for the development of novel drugs, particularly those targeting neurological or metabolic disorders. It may also find applications in organic synthesis and as a building block for more complex molecules due to its unique structure and functional group diversity.

Is Sodium (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 59703-84-3) safe?

Sodium (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate is generally considered safe when handled properly. However, as with many chemical compounds, it requires appropriate safety measures, including use of personal protective equipment (PPE) and adherence to chemical safety standards to minimize exposure risks.

How should Sodium (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 59703-84-3) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C. It should be kept in a tightly sealed container to prevent moisture and contamination. Storage in a well-ventilated area is recommended to ensure stability and safety, and it should be protected from direct light and incompatible substances.