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(2S,5R,6R)-6-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS No. 61477-96-1

(2S,5R,6R)-6-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Basic Information

Chemical_Structure_Of
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CAS Number

61477-96-1

Molecular Formula

C23H27N5O7S

Molecular Weight

517.56 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

163-173°C

Boiling Point

°Cat760mmHg

Density

1.51

Solubility

Freely soluble in methanol. Only sparingly soluble in aqueous solution at 0.119 mg/mL

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

InChI

InChI=1S/C23H27N5O7S/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)/t13-,14-,15+,20-/m1/s1

InChIKey

IVBHGBMCVLDMKU-GXNBUGAJSA-N

LogP

-0.24029999999999685

Topological Polar Surface Area

156.42999999999998 Ų

Hydrogen Bond Donor/Acceptor

3 / 12

Complexity

982

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

  • (2S,5R,6R)-6-[[(2R)-[[(4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL]AMINO]PHENYLACETYL]AMINO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
  • PIPERACILLIN [WHO-DD]
  • 1-carboxamido)-2-phenylacetamido)-3,3-dimethyl-
  • Pipracil, Piper
  • Peperacillin
  • Epitope ID:116652
  • GTPL10921
  • (2S,5R,6R)-6-[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Piperacillin hydrate
  • Prestwick0_000755
  • CS-0013978
  • (2S,5R,6R)-6-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Prestwick3_000755
  • CHEMBL702
  • A868701
  • (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • AKOS016007827
  • BDBM50240426
  • AB01275515-01
  • W-105153
  • (2S,5R,6R)-6-((R)-2-(4-ethyl-2,3-dioxopiperazine-
  • Peracin (TN)
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[(2R)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • 6-(D-(-)-alpha-(4-Ethyl-2,3-dioxo-1-piperazinecarboxamido)phenylacetamido)penicillanic acid
  • Piperacillinum
  • Piperacillina
  • EINECS 262-811-8
  • BRD-K86873305-236-03-0
  • Prestwick1_000755
  • Peracin

MDL Number

MFCD00865043

Customs Code

2941101900

FAQ

What regulatory guidelines apply to (2S,5R,6R)-6-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 61477-96-1)?
This compound is subject to various regulatory guidelines including GHS classification for hazardous properties, REACH regulations for European Union member states, and FDA/EPA requirements for pharmaceutical and environmental safety. Compliance with local and international regulations is essential for handling, storage, and disposal of this compound.

Are there alternatives to (2S,5R,6R)-6-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid in synthesis?
Alternative reagents and compounds such as (2S,5R,6R)-6-[(2R)-2-[(2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid or related analogs can be used as substitutes in synthesis, depending on the specific application and desired properties.

What is the market or research trend for (2S,5R,6R)-6-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 61477-96-1)?
Research trends indicate a growing interest in this compound for its potential applications in pharmaceuticals and other specialized industries. Market trends show increasing demand due to its unique chemical properties and potential in developing new therapeutic agents. Innovations in synthetic methods and applications continue to drive research and development efforts.

How should waste containing (2S,5R,6R)-6-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 61477-96-1) be handled?
Waste containing this compound should be collected in compatible, leak-proof containers and disposed of through professional waste disposal services. Incineration or chemical neutralization methods may be employed, followed by proper environmental protection procedures to ensure compliance with local regulations and minimize environmental impact.

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(2S,5R,6R)-6-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid — Shanghai Yuyeh Biotechnology Co., Ltd.

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(2S,5R,6R)-6-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid — Beijing Huawei Ruike Chemical Co., Ltd.

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