Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Basic Information

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CAS Number

58-71-9

Molecular Formula

C16H15N2NaO6S2

Molecular Weight

418.42 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

Melting Point

240 ºC

Boiling Point

757.2°C at 760 mmHg

Water Solubility

158 mg/L

Solubility

H2O: 50 mg/mL, clear, faintly yellow

Specific Rotation

D +135° (c = 1.0 in water)

SMILES

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CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3cccs3)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1/p-1/t12-,15-;/m1./s1

InChIKey

VUFGUVLLDPOSBC-XRZFDKQNSA-M

LogP

-0.41360

Complexity

686

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

Toxicity

LD50 in mice, rats (mg/kg): >20000, >10000 orally; 5670, 7716 i.p. (Kuramoto)

Synonyms & References

English

synclotin
(6r,7r)-3-(acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-(2-THIENYLACETAMIDO)CEPHALOSPORANIC ACID
7-(2-THIENYLACETAMIDO)CEPHALOSPORANIC ACID SODIUM SALT
7-(Thiophene-2-acetamido)cephalosporanic acid sodium salt
CEFALOTHIN NA
CEFALOTHIN SODIUM
CEFALOTIN SODIUM
CEPHALOTHIN SODIUM
CEPHALOTHIN SODIUM SALT
CEPHALOTIN SODIUM SALT
monosodium (6r,7r)-3-acetoxymethyl-8-oxo-7-[2-(thiophen-2-yl)acetylamido]-5-thia-1-azabicyclo[4.2.0.]oct-2-ene-2-carboxylate
Sodium cephalothin
7-(2-(2-thienyl)acetamido)-,acetate,monosodiumsalt
cefalothinesodium
cefalotinasodica
chephalotin
lilly38253
toricelocin
cephalothin sodium cell culture tested
CEPHALOTHIN
Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
7-(Thiophene-2-acetamido)cephalosporanic acidsodium
Cefalotin sodiuM salt
Monosodium (6R,7R)-3-acetoxymethyl-8-oxo-7-[2-(thiophen-2-yl)acetylamido]-5-thia-1-azabicy
Sodium cefalotin
Sodium cephalotin
Cefalotina sodica
Keflin
Cefalothine
Ceporacin

MDL Number

MFCD00072025

Customs Code

3003201900

FAQ

What is Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 58-71-9)?

Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 58-71-9) is a complex organic compound used primarily in pharmaceutical applications as a prodrug. It has a unique structure that includes a thienylacetyl group and an azabicyclic ring system with a carboxylate ester. This compound exhibits specific biological activities and is used in the development of therapeutic agents.

What are the main uses of Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 58-71-9)?

Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 58-71-9) is primarily used as a prodrug in the pharmaceutical industry. It is used for the development of new drugs targeting specific biological pathways, particularly in the treatment of certain inflammatory conditions and infectious diseases.

Is Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 58-71-9) safe?

Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 58-71-9) is generally considered safe when used under controlled conditions as a prodrug. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment and handling it in a well-ventilated area. Proper training and adherence to safety protocols are essential to minimize any potential risks.

How should Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 58-71-9) be stored?

Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 58-71-9) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation and contamination. Avoid exposure to moisture and ensure proper labeling for easy identification and safety.

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Compound Q&A

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Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | CAS No. 58-71-9

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Boiling Point

Water Solubility

Solubility

Specific Rotation

Chemical Properties

SMILES

InChI

InChIKey

LogP

Complexity

Safety Information

Hazard Statement

Hazard Class

Toxicity

Synonyms & References

English

MDL Number

Customs Code

FAQ

What is Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 58-71-9)?

What are the main uses of Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 58-71-9)?

Is Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 58-71-9) safe?

How should Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 58-71-9) be stored?

Related Compounds

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