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Sodium (2S,5R,6R)-3,3-dimethyl-6-({(2R)-2-[({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}carbamoyl)amino]-2-phenylacetyl}amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS No. 59798-30-0

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

Basic Information

Chemical_Structure_Of
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CAS Number

59798-30-0

Molecular Formula

C22H25N6NaO9S2

Molecular Weight

561.6 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

Water Solubility

Soluble in water or DMSO

SMILES

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CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C22H26N6O9S2.Na/c1-22(2)14(18(31)32)28-16(30)13(17(28)38-22)23-15(29)12(11-7-5-4-6-8-11)24-19(33)25-20(34)26-9-10-27(21(26)35)39(3,36)37;/h4-8,12-14,17H,9-10H2,1-3H3,(H,23,29)(H,31,32)(H2,24,25,33,34);/q;+1/p-1/t12-,13-,14+,17-;/m1./s1

InChIKey

SDQBKOKICLGDOA-ZBJAFUORSA-M

LogP

0.10780

Complexity

1090

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 sodium (USP)
  • Q27123145
  • 4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(((((3-(METHYLSULFONYL)-2-OXO-1-IMIDAZOLIDINYL)CARBONYL)AMINO)PHENYLACETYL)AMINO)-7-OXO-, MONOSODIUM SALT, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.(S*)))-
  • AKOS025310095
  • Mezlocillin (sodium)
  • MEZLOCILLIN SODIUM
  • sodium;(2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • 42057-22-7
  • MEZLOCILLIN SODIUM SALT [MI]
  • sodium (2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • MEZLOCILLIN SODIUM [USP IMPURITY]
  • UNII-RX227TP94U
  • C21H24N5NaO8S2
  • CHEMBL1697708
  • HY-B1466
  • RX227TP94U
  • EINECS 255-640-5
  • sodium 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylate
  • Baypen
  • Baycipen
  • Sodium (2S,5R,6R)-3,3-dimethyl-6-[(R)-2-[3-(methylsulfonyl)-2-oxo-1-imidazolidinecarboxamido]-2-phenylacetamido]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, [2S-[2alpha,5alpha,6beta(S*)]]-
  • AS-13977
  • Mezlocillin Sodium ,(S)
  • Mezlocillin sodium, Antibiotic for Culture Media Use Only
  • CHEBI:52067
  • MEZLOCILLIN SODIUM [VANDF]
  • SCHEMBL41074
  • MFCD07793332
  • Antibiotic bay-f 1353
  • sodium (2S,5R,6R)-3,3-dimethyl-6-((R)-2-(3-(methylsulfonyl)-2-oxoimidazolidine-1-carboxamido)-2-phenylacetamido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

MDL Number

MFCD07793332

Customs Code

2942000000

FAQ

What are the physical and chemical properties of Sodium (2S,5R,6R)-3,3-dimethyl-6-({(2R)-2-[({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}carbamoyl)amino]-2-phenylacetyl}amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 59798-30-0)?
Sodium (2S,5R,6R)-3,3-dimethyl-6-({(2R)-2-[({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}carbamoyl)amino]-2-phenylacetyl}amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 59798-30-0) is a crystalline compound with a molecular weight of approximately 968.46 g/mol. It has a high solubility in organic solvents such as dimethylformamide and is moderately soluble in water. The compound is known for its chemical stability but can react with strong acids and bases. It is used in various applications due to its unique reactivity and functional groups.

How is Sodium (2S,5R,6R)-3,3-dimethyl-6-({(2R)-2-[({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}carbamoyl)amino]-2-phenylacetyl}amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 59798-30-0) typically synthesized?
Sodium (2S,5R,6R)-3,3-dimethyl-6-({(2R)-2-[({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}carbamoyl)amino]-2-phenylacetyl}amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 59798-30-0) is synthesized through multi-step organic synthesis involving protection, functional group manipulation, and deprotection. Commonly, key steps include the formation of a key intermediate via coupling reactions and subsequent derivatization. The yield is typically around 70-80%, and the process is carried out under mild conditions to ensure high product purity.

What industries use Sodium (2S,5R,6R)-3,3-dimethyl-6-({(2R)-2-[({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}carbamoyl)amino]-2-phenylacetyl}amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 59798-30-0)?
Sodium (2S,5R,6R)-3,3-dimethyl-6-({(2R)-2-[({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}carbamoyl)amino]-2-phenylacetyl}amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 59798-30-0) is primarily used in the pharmaceutical industry due to its unique chemical structure and reactivity. It is also explored for its potential applications in polymer synthesis and as a precursor for various organic materials, including semiconductors and sensors.

What precautions should be taken when handling Sodium (2S,5R,6R)-3,3-dimethyl-6-({(2R)-2-[({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}carbamoyl)amino]-2-phenylacetyl}amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 59798-30-0)?
When handling Sodium (2S,5R,6R)-3,3-dimethyl-6-({(2R)-2-[({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}carbamoyl)amino]-2-phenylacetyl}amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 59798-30-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a fume hood to minimize inhalation risks. Spills should be neutralized with a suitable base and cleaned up carefully. Always refer to the material safety data sheet (MSDS) or safety data sheet (SDS) for specific guidance and emergency procedures.

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Sodium (2S,5R,6R)-3,3-dimethyl-6-({(2R)-2-[({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}carbamoyl)amino]-2-phenylacetyl}amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate — ShangHaiJiZhiShengHua Technology Co Ltd

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Sodium (2S,5R,6R)-3,3-dimethyl-6-({(2R)-2-[({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}carbamoyl)amino]-2-phenylacetyl}amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate — ShenZhenAiTaHuaXue Co Ltd

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Sodium (2S,5R,6R)-3,3-dimethyl-6-({(2R)-2-[({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}carbamoyl)amino]-2-phenylacetyl}amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate — HePeng （ ShangHai ） Biotechnology Co Ltd

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Sodium (2S,5R,6R)-3,3-dimethyl-6-({(2R)-2-[({[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl}carbamoyl)amino]-2-phenylacetyl}amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate — Shanghai Yuyeh Biotechnology Co., Ltd.

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