Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Basic Information

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CAS Number

54639-48-4

Molecular Formula

C28H24N2O5S

Molecular Weight

500.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Boiling Point

777.1°C at 760 mmHg

SMILES

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C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C28H24N2O5S/c31-21-17-36-27-23(29-22(32)16-18-10-4-1-5-11-18)26(33)30(27)24(21)28(34)35-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23,25,27,31H,16-17H2,(H,29,32)/t23-,27-/m1/s1

InChIKey

HJINVAQLVZRFTL-YIXXDRMTSA-N

LogP

3.7314000000000025

Topological Polar Surface Area

95.94000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

840

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

AC-7595
benzhydryl (6r,7r)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
7-Phenyl acetamido-3-hydroxy-3-cephem-4-carboxylic acid diphenylmethyl ester
Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MFCD00191259
benzhydryl (6R,7R)-3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-Benzhydryl 3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
3-hydroxy-7beta-phenylacetylamino-3-cephem-4-carboxylic acid diphenylmethyl ester
(6R,7R)-Benzhydryl3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
C28H24N2O5S
54639-48-4
A830278
AS-11706
(6R,7R)-3-Hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenyl methyl ester
(6R,7R)-Benzhydryl 3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
CS-0368226
DTXSID40716259
Benzhydryl 7beta-phenylacetamido-3-hydroxy-ceph-3-em-4-carboxylate
Benzhydryl 7beta-[(phenylacetyl)amino]-3-hydroxy-3-cephem-4-carboxylate
AKOS015888296
HJINVAQLVZRFTL-YIXXDRMTSA-N
6R,7R)-3-Hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenyl methyl ester
Benzhydryl(6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
EC 611-177-4
BCP12087
3(6R,7R)-Hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic ac
SCHEMBL9698012
GHYH
7-Phenyl acetamido-3-Hydroxy-3-Cephem-4-Carboxylic acid Diphenylmethyl ester
GHYA
3(6R,7R)-Hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Diphenylmethyl Ester

MDL Number

MFCD00191259

Customs Code

2941905990

FAQ

What regulatory guidelines apply to Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 54639-48-4)?

Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS 54639-48-4) falls under the scope of GHS classification and requires proper labeling for hazardous properties. Under REACH regulations, manufacturers and importers must register the compound if its annual production or import exceeds one ton. FDA and EPA regulations govern the compound's use and disposal in the United States, focusing on safety and environmental impact.

Are there alternatives to Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 54639-48-4) in synthesis?

Alternative reagents such as diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS 54639-48-4) include its isomers and analogs. Researchers often explore alternatives to reduce toxicity and improve synthetic efficiency. Common substitutes include simpler functional groups or structurally similar compounds.

What is the market or research trend for Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 54639-48-4)?

Market trends for Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS 54639-48-4) indicate increasing demand in pharmaceutical research. Recent research focuses on its potential as a therapeutic agent, particularly in cancer treatment. The trend shows a shift towards more sustainable and less toxic compounds.

How should waste containing Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 54639-48-4) be handled?

Waste containing Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS 54639-48-4) should be collected in sealed containers and disposed of through professional waste disposal services. Incineration is a viable method, but environmental precautions must be taken to minimize emissions. Proper labeling and documentation are essential for regulatory compliance.