(6R,7R)-7-{[(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-3-{(E)-[(3'R)-1'-{[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]carbonyl}-2-oxo-1,3'-bipyrrolidin-3-ylidene]methyl}-8-oxo-5- thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Basic Information

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CAS Number

376653-43-9

Molecular Formula

C26H26N8O11S2

Molecular Weight

690.67 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Physical State

No data avaiable

Melting Point

No data available

Boiling Point

No data available

Density

1.95

Flash Point

No data available

Vapor Pressure

No data available

SMILES

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Cc1c(oc(=O)o1)COC(=O)N2CC[C@H](C2)N3CC/C(=C\C4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=N\O)/c6nc(sn6)N)SC4)C(=O)O)/C3=O

InChI

InChI=1S/C26H26N8O11S2/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31)/b11-6+,30-15-/t13-,16-,22-/m1/s1

InChIKey

HFTSMHTWUFCYMJ-YIOMYIDASA-N

LogP

-0.5383799999999954

pKa

2.46±0.50(Predicted)

Topological Polar Surface Area

264.29999999999995 Å²

Hydrogen Bond Donor/Acceptor

5 / 19

Complexity

1560

Safety Information

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Hazard Statement

Synonyms & References

English

Ceftobiprole medocaril
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-2-(5-aMino-1,2,4-thiadiazol-3-yl)-2-(hydroxyiMino)acetyl]aMino]-3-[[(E,3'R)-1'-[[(5-Methyl-2-oxo-1,3-dioxol-4-yl)Methoxy]carbonyl]-2-oxo[1,3'-bipyrrolidin]-3-ylidene]Methyl]-8-oxo-,(6R,7R)-
BAL5788
Ceftobiprole medocaril USP/EP/BP
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino]-3-[[(E,3'R)-1'-[[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]carbonyl]-2-oxo[1
BAL-5788,Inhibitor,penicillin,cephalosporin,inhibit,gram-positive,pyrrolidinone,BAL 5788,MRSA,Ceftobiprole medocaril,Bacterial,vancomycin,pathogens,staphylococci,gram-negative,VRSA,methicillin,Prodrug
Valine Impurity 146
001
BAL-5788
Ro-65-5788
Zeftera
YXV28V1B07
ceftobiprolemedocaril
Ceftobiprole Medocaril [INN]
HFTSMHTWUFCYMJ-FDNJTQOMSA-N
DB14733
653C439
(6R,7R)-7-((2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetamido)-3-((E)((3'R)-1'-((5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl)-2-oxo-(1,3'-bipyrrolidin)-3-ylidene)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
CID 135413544

MDL Number

MFCD16621102

FAQ

What regulatory guidelines apply to (6R,7R)-7-{[(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-3-{(E)-[(3'R)-1'-{[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]carbonyl}-2-oxo-1,3'-bipyrrolidin-3-ylidene]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 376653-43-9)?

This compound is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is important to follow specific handling, storage, and disposal procedures as outlined in these guidelines to ensure safety and compliance with legal standards.

Are there alternatives to (6R,7R)-7-{[(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-3-{(E)-[(3'R)-1'-{[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]carbonyl}-2-oxo-1,3'-bipyrrolidin-3-ylidene]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 376653-43-9) in synthesis?

There are several alternatives, such as isomers or analogs, that can be used in the synthesis. Common alternative reagents include similar thiadiazole derivatives or modified bipyrrolidinyl structures, which offer similar functional groups and properties.

What is the market or research trend for (6R,7R)-7-{[(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-3-{(E)-[(3'R)-1'-{[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]carbonyl}-2-oxo-1,3'-bipyrrolidin-3-ylidene]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 376653-43-9)?

The market trend for this compound is driven by its potential applications in pharmaceuticals and materials science. Research is focusing on its use as a precursor in drug synthesis and as a functional material. Price trends indicate growing demand, and emerging research fields include its use in targeted drug delivery systems and advanced coatings.

How should waste containing (6R,7R)-7-{[(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-3-{(E)-[(3'R)-1'-{[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]carbonyl}-2-oxo-1,3'-bipyrrolidin-3-ylidene]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 376653-43-9) be handled?

Waste containing this compound should be collected in appropriate containers, labeled clearly, and stored in a secure location. Professional waste disposal services should be used, and incineration or safe chemical neutralization methods should be employed. Environmental protection measures include proper ventilation and protective equipment to prevent exposure and contamination.