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(5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate (1:1) | CAS No. 74431-23-5

(5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate (1:1)

Basic Information

Chemical_Structure_Of
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CAS Number

74431-23-5

Molecular Formula

C12H19N3O5S

Molecular Weight

317.37 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Amines
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

194-200°C

Boiling Point

567 °C

Water Solubility

Soluble in water at 5mg/ml

Flash Point

>110°(230°F)

Solubility

H2O: >5mg/mL

SMILES

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CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O.O

InChI

InChI=1S/C12H17N3O4S.H2O/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17;/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19);1H2/t6-,7-,9-;/m1./s1

InChIKey

GSOSVVULSKVSLQ-JJVRHELESA-N

LogP

-1.0007299999999986

Topological Polar Surface Area

145.22000000000003 Ų

Hydrogen Bond Donor/Acceptor

6 / 8

Complexity

491

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

  • (5R,6S)-3-((2-Formimidamidoethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
  • IMIPENEM [ORANGE BOOK]
  • s3667
  • (5R,6S)-3-((2-((E)-(aminomethylene)amino)ethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
  • imipenem hydrate; imipenem monohydrate; 74431-23-5; C12H19N3O5S
  • CS-W019618
  • (5R,6S)-3-((2-Formimidamidoethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylicacidhydrate
  • (5R,6S)-3-((2-(Formimidoylamino)ethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid monohydrate
  • DTXSID00873392
  • Imipenem,monohydrate
  • (5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate
  • AKOS015962000
  • 74431-23-5 (hydrate)
  • IMIPENEM MONOHYDRATE [EP MONOGRAPH]
  • Imipenem monohydrate
  • (5R,6S)-3-(2-formimidamidoethylthio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
  • GSOSVVULSKVSLQ-JJVRHELESA-N
  • IMIPENEM [VANDF]
  • DS-5383
  • IMIPENEM [MART.]
  • Imipenem monohydrate, United States Pharmacopeia (USP) Reference Standard
  • AC-6815
  • Imipenem-1-wasser
  • (5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid monohydrate
  • CHEBI:51799
  • (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2-methanimidamidoethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
  • HY-B1369
  • IMIPENEM MONOHYDRATE [MI]
  • IMIPENEM MONOHYDRATE [USP-RS]
  • Q-101423
  • (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid--water (1/1)

MDL Number

MFCD09753321

FAQ

What are the physical and chemical properties of (5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate (1:1) (CAS: 74431-23-5)?
This compound is a hydrate with a molecular weight of approximately 434.47 g/mol. It crystallizes in a specific form with a high melting point and good solubility in organic solvents. The compound is known for its reactivity towards nucleophiles and its stability under neutral and basic conditions. It is often used in analytical chemistry due to its unique functional groups.

How is (5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate (1:1) (CAS: 74431-23-5) typically synthesized?
This compound is synthesized through a multi-step reaction involving condensation and cyclization reactions. Commonly, it is prepared from acyclic precursors using amines and amidation reactions. The synthesis typically involves the use of mild bases and catalysts to achieve high selectivity and yield. Detailed procedures can be found in various organic synthesis literature.

What industries use (5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate (1:1) (CAS: 74431-23-5)?
This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate due to its unique chemical structure. It also finds applications in sensor technology and semiconductor materials, where its functional groups can be utilized for specific binding interactions and electronic properties.

What precautions should be taken when handling (5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate (1:1) (CAS: 74431-23-5)?
Proper handling of this compound should be conducted in a well-ventilated area, preferably under a fume hood. Personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn to avoid direct contact and inhalation. Spills should be managed carefully using appropriate absorbent materials and the Material Safety Data Sheet (MSDS) should be consulted for specific cleanup procedures. Storage should be in a cool, dry place away from direct sunlight and heat sources.

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(5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate (1:1) — ShangHaiJiZhiShengHua Technology Co Ltd

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