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Ceftibuten structure, CAS 97519-39-6

Ceftibuten

CAS Number97519-39-6

Synonyms7432 S; s7432; cis-Ceftibutin; ceftibutenum [INN_la]; Ceftibutene; antibiotic7432s; 7432S; Seftem; Antibiotic 7432S; cephem; 7b-[(Z)-2-(2-Aminothiazol-4-yl)-4-carboxy-2-butenoylamino]-3-cephem-4-carboxylic Acid; Ceftibuten; cephalosporin7432-s

Molecular FormulaC15H14N4O6S2

Molecular Weight410.42 (anhydrous basis)

Purity90-102 anhydrous basis (HPLC)%

Density1.8±0.1 g/cm3

Boiling Point966.4±65.0 °C at 760 mmHg

Melting Point

Flash Point

Appearancecrystalline powder

EINECS

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9009676 Purity: 90-102 anhydrous basis (HPLC)%
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Quality Control of [ 97519-39-6 ] Purity: 90-102 anhydrous basis (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number97519-39-6
Catalog No.2A-9009676
Chinese Name头孢布烯
Synonyms7432 S; s7432; cis-Ceftibutin; ceftibutenum [INN_la]; Ceftibutene; antibiotic7432s; 7432S; Seftem; Antibiotic 7432S; cephem; 7b-[(Z)-2-(2-Aminothiazol-4-yl)-4-carboxy-2-butenoylamino]-3-cephem-4-carboxylic Acid; Ceftibuten; cephalosporin7432-s
Molecular FormulaC15H14N4O6S2
Molecular Weight410.42 (anhydrous basis)
Purity90-102 anhydrous basis (HPLC)
Density1.8±0.1 g/cm3
Boiling Point966.4±65.0 °C at 760 mmHg
Appearancecrystalline powder
Storage Condition2-8℃
ApplicationCeftibuten (Sch39720) is a third-generation cephalosporin antibiotic.
PubChem ID329825107
MDL NumberMFCD20488049
SMILESO.Nc1nc(cs1)\C(=C\CC(O)=O)C(=O)N[C@H]2[C@H]3SCC=C(N3C2=O)C(O)=O
InChI1S/C15H14N4O6S2.H2O/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19;/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25);1H2/b6-1-;/t10-,13-;/m1./s1
InChI KeyJMLVKZRNRBPPDZ-TXOBIQCCSA-N
NACRES CodeNA.77
UNSPSC51284115
Hazard SymbolsTransport
MSDSmsds/9676_1_97519_39_6.pdf
BioactivityCeftibuten(Sch39720) is a third-generation cephalosporin antibiotic.IC50:Target: AntibacterialCeftibuten displayed high activity against Haemophilus influenzae and Branhamella catarrhalis. There was reduced activity against Streptococcus pneumoniae (MIC90 16 mg/l). The protein binding of Ceftibuten was 77% and the primary target site PBP 3. A high degree of stability to beta-lactamase hydrolysis was observed. [1] Related Catalog Signaling Pathways >> Anti-infection >> Bacterial Research Areas >> Infection Natural Products >> Alkaloid References [1]. Wise R, et al. Ceftibuten--in-vitro activity against respiratory pathogens, beta-lactamase stability and mechanism of action. J Antimicrob Chemother, 1990. 26(2): p. 209-213. Chemical & Physical Properties Density 1.8±0.1 g/cm3 Boiling Point 966.4±65.0 °C at 760 mmHg Molecular Formula C15H14N4O6S2 Molecular Weight 410.425 Flash Point 538.3±34.3 °C Exact Mass 410.035461 PSA 216.46000 LogP -0.96 Vapour Pressure 0.0±0.3 mmHg at 25°C Index of Refraction 1.762 InChIKey UNJFKXSSGBWRBZ-BJCIPQKHSA-N SMILES Nc1nc(C(=CCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCSC23)cs1 Storage condition 2-8℃
Use ofProperties Name ceftibuten Synonym More Synonyms Ceftibuten Biological Activity Related Catalog Signaling Pathways >> Anti-infection >> Bacterial Research Areas >> Infection Natural Products >> Alkaloid References [1]. Wise R, et al. Ceftibuten--in-vitro activity against respiratory pathogens, beta-lactamase stability and mechanism of action. J Antimicrob Chemother, 1990. 26(2): p. 209-213. Chemical & Physical Properties Molecular Formula C15H14N4O6S2 Exact Mass 410.035461 PSA 216.46000 LogP -0.96 Index of Refraction 1.762 InChIKey UNJFKXSSGBWRBZ-BJCIPQKHSA-N Storage condition 2-8℃
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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