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Sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(2R)-2-{[(2-oxo-1-imidazolidinyl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS No. 37091-65-9

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

Basic Information

Chemical_Structure_Of
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CAS Number

37091-65-9

Molecular Formula

C20H22N5NaO6S

Molecular Weight

483.5 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

221-231°C

Water Solubility

Freely soluble in water

Flash Point

>110°(230°F)

Solubility

H2O: soluble50mg/mL

SMILES

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CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCNC4=O)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C20H23N5O6S.Na/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30;/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1

InChIKey

UVOCNBWUHNCKJM-XFAPPKAWSA-M

LogP

-0.25410

Complexity

851

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • AKOS030526140
  • Sodium (2S-(2alpha,5alpha,6beta(S*)))-3,3-dimethyl-7-oxo-6-(((((2-oxoimidazolidin-1-yl)carbonyl)amino)phenylacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate
  • DTXCID4025581
  • sodium 2,2-dimethyl-6beta-((2R)-2-(((2-oxoimidazolidin-1-yl)carbonyl)amino)-2-phenylacetamido)penam-3alpha-carboxylate
  • MFCD07793330
  • Monosodium azlocillin
  • SCHEMBL192700
  • UNII-DWV1EFW947
  • AZLOCILLIN SODIUM (MART.)
  • AZLOCILLIN SODIUM [MART.]
  • Azlocillin, Sodium
  • sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • EINECS 253-347-7
  • sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-((R)-2-(2-oxoimidazolidine-1-carboxamido)-2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • AZLOCILLIN SODIUM [ORANGE BOOK]
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((((2-oxo-1-imidazolidinyl)carbonyl)amino)phenylacetyl)amino)-, monosodium salt, (2S-(2alpha,5alpha,6beta(S*)))-
  • AZLOCILLIN SODIUM SALT [MI]
  • CCG-220821
  • Securopen
  • 4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-(((((2-OXO-1-IMIDAZOLIDINYL)CARBONYL)AMINO)PHENYLACETYL)AMINO)-, MONOSODIUM SALT, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.(S*)))-
  • Azlin (TN)
  • AZLOCILLIN SODIUM [VANDF]
  • AZLOCILLIN SODIUM
  • Q27122864
  • Azlocillin (sodium salt)
  • SODIUM (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(((2R)-2-(((2-OXOIMIDAZOLIDIN-1-YL)CARBONYL)AMINO)-2-PHENYLACETYL)AMINO)-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE
  • BDBM50247886
  • D03039
  • Sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-((R)-2-(2-oxo-1-imidazolidinecarboxamido)-2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate
  • Sodium, Azlocillin
  • BAY-E-6905

MDL Number

MFCD07793330

Customs Code

2942000000

FAQ

What are the physical and chemical properties of Sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(2R)-2-{[(2-oxo-1-imidazolidinyl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 37091-65-9)?
The compound is a crystalline solid with a molecular weight of approximately 617.72 g/mol. It is sparingly soluble in water but more soluble in organic solvents like DMSO. Chemically, it is reactive towards basic conditions. It exhibits low volatility and is stable in air under normal conditions.

How is Sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(2R)-2-{[(2-oxo-1-imidazolidinyl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 37091-65-9) typically synthesized?
The synthesis involves multistep reactions including condensation, cyclization, and carboxylation. Commonly, imidazolidinyl carbonyl and phenylacetyl derivatives are used as starting materials. The overall yield is moderate, and the reaction is catalyzed by a transition metal such as palladium. High selectivity and purity are achieved through careful control of reaction conditions.

What industries use Sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(2R)-2-{[(2-oxo-1-imidazolidinyl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 37091-65-9)?
This compound is used in the pharmaceutical industry for drug synthesis, particularly in the development of novel antibiotics and anti-cancer agents. It also has potential applications in sensor technology and as a precursor in the semiconductor industry for specific electronic components.

What precautions should be taken when handling Sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(2R)-2-{[(2-oxo-1-imidazolidinyl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 37091-65-9)?
When handling this compound, use personal protective equipment such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled with appropriate absorbent material and cleaned up carefully. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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Supplier Information

Wuhan HuJiu Medicine Technology Co., Ltd.

CAS Number: 37091-65-9

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

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CAS Number: 37091-65-9

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

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Shanghai Yuansi Biotechnology Co., Ltd.

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

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

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