Cefditoren Pivoxil

Basic Information

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CAS Number

117467-28-4

Molecular Formula

C25H28N6O7S3

Molecular Weight

620.74 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 Amines

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

207-209°C

Boiling Point

°Cat760mmHg

Density

1.55

Refractive Index

1.71

Specific Rotation

D20 -48.5° (c = 0.5 in methanol)

SMILES

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CC1=C(SC=N1)C=CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C25H28N6O7S3/c1-12-15(41-10-27-12)7-6-13-8-39-21-17(29-19(32)16(30-36-5)14-9-40-24(26)28-14)20(33)31(21)18(13)22(34)37-11-38-23(35)25(2,3)4/h6-7,9-10,17,21H,8,11H2,1-5H3,(H2,26,28)(H,29,32)/b7-6-,30-16-/t17-,21-/m1/s1

InChIKey

AFZFFLVORLEPPO-UVYJNCLZSA-N

LogP

2.29812

Topological Polar Surface Area

175.39999999999998 Å²

Hydrogen Bond Donor/Acceptor

3 / 13

Complexity

1160

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

NSC 759098
cefditoren-pivoxil
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7(((2Z)-(2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-3-((1Z)-2-(4-METHYL-5-THIAZOLYL)ETHENYL)-8-OXO-, (2,2-DIMETHYL-1-OXOPROPOXY)METHYL ESTER, (6R,7R)-
7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(2-(4-methylthiazol-5-yl)ethenyl)cephem-4-carboxylic acid pivaloyloxymethyl ester
[(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-((1Z)-2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-,(2,2-dimethyl-1-oxopropoxy)methyl Ester,(6R,7R)-
Cefditoren Pivoxil [JAN]
Cefditoren Pivoxil HCl
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-(3(Z),6-alpha,7-beta-(Z)))-
CHEMBL454446
HY-17452A
1448435-17-3
(+)-(6R,7R)-7-(2-(2-AMINO-4-THIAZOLYL)GLYOXYLAMIDO)-3-((Z)-2-(4-METHYL-5-THIAZOLYL)VINYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE PIVALOYLOXY METHYL ESTER, 7(SUP 2)-(Z)-(O-METHYLOXIME)
((2,2-dimethylpropanoyl)oxy)methyl (6R,7R)-7-(((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl)amino)-3-((Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
SCHEMBL182876
CS-1949
CEFDITOREN PIVOXIL [MART.]
CEFDITOREN PIVOXIL [WHO-DD]
Tox21_113197
NSC-759098
CEFDITOREN PIVALOYLOXYMETHYL ESTER [MI]
pivaloyloxymethyl (+)-(6R,7R)-7-(((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl)amino)-3-((Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
CCG-270254
ME-1207
BRD-K72167406-001-03-9
2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
2,2-Dimethylpropanoyloxymethyl (6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetylamino)-3-((1Z)-2-(4-methylthiazol-5-yl)ethenyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
Cefditoren PI voxil
DTXSID2048743
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-((1Z)-2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-,2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-
[(2,2-dimethylpropanoyl)oxy]methyl 7beta-(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-3,4-didehydrocepham-4-carboxylic acid

MDL Number

MFCD00933166

Customs Code

2941905990

FAQ

What are the physical and chemical properties of Cefditoren Pivoxil (CAS: 117467-28-4)?

Cefditoren pivoxil is a crystalline compound with a molecular weight of approximately 535.73 g/mol. It has a solubility of about 10 mg/mL in water. Chemically, it is relatively stable but can react with strong bases. This compound is used in pharmaceutical applications due to its physical and chemical properties.

How is Cefditoren Pivoxil (CAS: 117467-28-4) typically synthesized?

Cefditoren pivoxil is synthesized through a multi-step process involving the formation of a β-lactam ring. Key reactions include the Wittig reaction, condensation steps, and a Pivoyl chloride esterification. The synthesis typically yields around 80% purity, with the use of various catalysts and solvents ensuring high selectivity and efficiency.

What industries use Cefditoren Pivoxil (CAS: 117467-28-4)?

Cefditoren pivoxil is primarily used in the pharmaceutical industry for the treatment of infections. It is also relevant in the medical industry for developing new antibiotics and antimicrobial agents. Its application in this sector is significant due to its efficacy and broad-spectrum activity.

What precautions should be taken when handling Cefditoren Pivoxil (CAS: 117467-28-4)?

When handling cefditoren pivoxil, appropriate personal protective equipment (PPE) such as gloves and safety goggles should be worn. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it is recommended to use a fume hood and follow the safety data sheet (SDS) guidelines for proper disposal. Always refer to the latest SDS for detailed safety information.