4-Thia-1-azabicyclo[3.2.0]heptan-2-carbonsure, 6-[[[3-(2-Chlorphenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6β)]-, Verbindung mit N,N'-Bis(phenylmethyl)-1,2-ethandiamin (2:1)
Cloxacillin Benzathine
Grundinformationen
- CAS
23736-58-5- Standard-SMILES
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.c1ccc(CNCCNCc2ccccc2)cc1- InChIKey
COCFKSXGORCFOW-VZHMHXRYSA-N- Summenformel
- C54H56Cl2N8O10S2
- Durchschnittliche Molmasse
- 1.112,1 g/mol
- Monoisotopische Masse
- 1.110,2937877
Überblick
Cloxacillin Benzathine is the benzathine salt form of a semisynthetic beta-lactamase resistant penicillin antibiotic with antibacterial activity. Cloxacillin binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall, thereby preventing the cross-linkage of peptidoglycans, which are critical components of the bacterial cell wall. This leads to a weakening of the bacterial cell wall, eventually causing bacterial cell lysis.
Namen und Bezeichner
- Bevorzugter Name
- Cloxacillin Benzathine
- IUPAC
- bis((2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);N,N'-dibenzylethane-1,2-diamine
- Lokaler Name
- 4-Thia-1-azabicyclo[3.2.0]heptan-2-carbonsure, 6-[[[3-(2-Chlorphenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6β)]-, Verbindung mit N,N'-Bis(phenylmethyl)-1,2-ethandiamin (2:1)
- Englischer Name
- Cloxacillin benzathine
- Summenformel
- C35H38ClN5O5S
- Molmasse
- 676.23
Namen und Synonyme
Cloxacillin benzathine23736-58-5Benzathine cloxacillinCloxacillin benzathine saltAC79L7PV2GCloxacillin benzathine (USP)Cloxacillin Benzathine [USP]DTXSID101020014Dry-CloxOrbenin DCOrbenin-DCRefChem:57090
Weitere Namen anzeigen
microsterileUnii-ac79L7pv2gBenzathine saltEinecs 245-855-2Clozoprim penicillinCloxacillin BensathineChlorfenapyr penicillinLinchlorobenzylpenicillin
Dry-Clox Intramammary InfusionDTXCID201477864cloxacillin salt with dibenzylethylenediamine245-855-2CHEBI:51351Cloxacillin Benzathine (2:1)(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;N,N'-dibenzylethane-1,2-diamine(2S,5R,6R)-6-(3-(o-Chlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid compound with N,N'-dibenzylethylenediamine (2:1)
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 300 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 16
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 76
- Formalladung
- 0
- Komplexität
- 893
Experimentelle und physikochemische Eigenschaften
Animal DrugsFDA approved animal drugs -> Active ingredient
Physikochemische Eigenschaften
- Schmelzpunkt
- 145 °C · >145°C (dec.)
- storage temp.
- Refrigerator
- Löslichkeit
- Methanol (Slightly, Sonicated), Water (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- InChIKey
- OUMOALQYXBRQFX-UDEWTJSRNA-N
- SMILES
- N([C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@]12[H])C(C1=C(ON=C1C1C=CC=CC=1Cl)C)=O.C(C1C=CC=CC=1)NCCNCC1C=CC=CC=1 |&1:1,5,13,r|
- CAS Datenbank
- 23736 · 23736-58-5
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationCloxacillin benzathine: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2.alpha.,5.alpha.,6.beta.)]-, compound with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1): Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Sicherheitsdaten
- hs_code
- 2941106000
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Anwendungen
BeschreibungCloxacillin benzathine is a valuable half-synthesized antibiotic used in veterinary medicine to treat infections caused by Gram positive and Gram negative bacteria. Given its high bioactivity, this compound is generally used to prevent infection and treat bovine mastitis, one of the most common diseases in dairy animals. This chemical compound was usually crystallized by precipitation from solutions after the reaction of two raw materials. The SEM photos indicate that the products are general needle-like crystals with some aggregates among them[1-2].
VerwendenCloxacillin Benzathine is a salt of Cloxacillin is an antibiotic that belongs to the group of the isoxazolylpenicillins. Cloxacillin is used to treat infections caused by species of staphylococci that produce beta-lactamase due to its inhibitory effects on beta-lactamase binding.
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