(4R,5S,6S)-3-{[1-(4,5-Dihydro-1,3-thiazol-2-yl)-3-azetidinyl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Basic Information

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CAS Number

161715-21-5

Molecular Formula

C16H21N3O4S2

Molecular Weight

383.5 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 Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

624.5±65.0°C at 760 mmHg

SMILES

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C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN(C3)C4=NCCS4)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C16H21N3O4S2/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)25-9-5-18(6-9)16-17-3-4-24-16/h7-11,20H,3-6H2,1-2H3,(H,22,23)/t7-,8-,10-,11-/m1/s1

InChIKey

GXXLUDOKHXEFBQ-YJFSRANCSA-N

LogP

0.6603000000000001

Topological Polar Surface Area

93.44000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

689

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

tebipenem
(4R,5S,6S)-3-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
LJC 11036
(1R,5S,6S)-6-(1(R)-Hydroxyethyl)-1-methyl-2-(1-(2-thiazolin-2-yl)azetidin-3-ylsulfanyl)-1-carba-2-penem-3-carboxylic acid
1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid,3-((1-(4,5-dihydro-2-thiazolyl)-3-azetidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-,(4R,5S,6S)
LJC-11036
(4R,5S,6S)-3-[[1-(4,5-Dihydro-2-thiazolyl)-3-azetidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Tebipenem Impurity 5
Q2TWQ1I31U
(1R,5S,6S)-6-[1(R)-Hydroxyethyl]-1-methyl-2-[1-(2-thiazolin-2-yl)azetidin-3-ylsulfanyl]-1-carba-2-penem-3-carboxylic acid
BC287750
1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((1-(4,5-dihydro-2-thiazolyl)-3-azetidinyl)thio)-6-((1R)-1-hydr
Tebipenem
(4R,5S,6S)-3-((1-(4,5-dihydrothiazol-2-yl)azetidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

MDL Number

MFCD00936545

FAQ

What regulatory guidelines apply to (4R,5S,6S)-3-{[1-(4,5-Dihydro-1,3-thiazol-2-yl)-3-azetidinyl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CAS: 161715-21-5)?

The compound is subject to various regulatory guidelines including GHS classification, REACH regulations, FDA/EPA requirements for pharmaceutical and chemical products. Specific handling, storage, and disposal guidelines must be followed based on the compound's classification and intended use.

Are there alternatives to (4R,5S,6S)-3-{[1-(4,5-Dihydro-1,3-thiazol-2-yl)-3-azetidinyl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid in synthesis?

Alternative reagents and compounds, such as analogs and isomers, can be considered depending on the specific application. Common substitutes include similar azabicyclic compounds with different functional groups or structural modifications.

What is the market or research trend for (4R,5S,6S)-3-{[1-(4,5-Dihydro-1,3-thiazol-2-yl)-3-azetidinyl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CAS: 161715-21-5)?

The market trend for this compound is driven by its applications in pharmaceutical and biotechnological research. Emerging research fields include drug discovery and development, with a focus on new therapeutic targets. Price trends and demand are closely linked to these developments.

How should waste containing (4R,5S,6S)-3-{[1-(4,5-Dihydro-1,3-thiazol-2-yl)-3-azetidinyl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CAS: 161715-21-5) be handled?

Waste containing this compound should be collected and disposed of according to local and international guidelines. Incineration or professional waste disposal services are recommended to ensure proper treatment and environmental safety. Follow all safety precautions to prevent exposure and environmental contamination.