Natrium-[6R-[6α,7β(R*)]]-7-[(hydroxyphenylacetyl)amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat
Cefamandole Sodium
Grundinformationen
- CAS
30034-03-8- Standard-SMILES
Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1.[Na+]- InChIKey
OJMNTWPPFNMOCJ-CFOLLTDRSA-M- Summenformel
- C18H17N6NaO5S2
- Durchschnittliche Molmasse
- 484,5 g/mol
- Monoisotopische Masse
- 484,05995429
Überblick
Cefamandole sodium is an organic sodium salt that is the sodium salt of cefamandole. It has a role as an antibacterial drug. It contains a cefamandole(1-).
Namen und Bezeichner
- Bevorzugter Name
- Cefamandole Sodium
- IUPAC
- sodium (6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- Lokaler Name
- Natrium-[6R-[6α,7β(R*)]]-7-[(hydroxyphenylacetyl)amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat
- Englischer Name
- Sodium cefamandole
- Summenformel
- C18H18N6O5S2.Na
- Molmasse
- 485.5
Namen und Synonyme
CEFAMANDOLE SODIUM30034-03-8CEFAMANDOLE SODIUM SALTcephamandole sodiumKefdoleKefdole (TN)cephamandole sodium saltDTXSID2045579Cefamandole sodium [JAN]IY6234ODVRCefamandole sodium (JAN)NSC-758169
Weitere Namen anzeigen
sodium cefamandoleCefamandole Sodium (250 mg)Sodium cefamandole USP/EP/BPmonosodiumsalt,d-hyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylicacid,7-mandelamido-3-(((1-metSodium 7-D-mandelamido-3-(1-methyl-1H-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylate5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-mandelamido-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, monosodium salt, D- (8CI)
DTXCID0025579CHEBI:34614CEFAMANDOLE SODIUM [MART.]CEFAMANDOLE SODIUM [WHO-DD]Monosodium (6R,7R)-7-(R)-mandelamido-3-(((1-methyl-1-H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylatesodium (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateCEFAMANDOLE SODIUM (MART.)5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((HYDROXYPHENYLACETYL)AMINO)-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-, (6R-(6A,7B(R*)))-, MONOSODIUM SALT
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 204 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 783
Experimentelle und physikochemische Eigenschaften
Collision Cross Section195.5 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 175 °C · >175°C (dec.)
- storage temp.
- Store at RT.
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White to Pale Yellow
- Stabilität
- Moisture Sensitive
- CAS Datenbank
- 30034 · 30034-03-8(CAS DataBase Reference)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 2
- RTECS-Nr.
- XI0389000
- risk_code
- 36/37/38-42/43
- Toxizität
- mouse,LD50,intravenous,4460mg/kg (4460mg/kg),Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 26, Pg. 115, 1984.
- hazard_code
- Xn
- safety_code
- 26-36
Chemie und Industrie
Anwendungen
BeschreibungCefamandole is a cephalosporin antibiotic that is effective against E. coli (MIC values range from 0.25-2 mg/L depending on strain) as well as H. influenza, S. pneumoniae, and S. aureus. It has been used to study the expression and inhibition of penicillin-binding proteins on bacterial cell walls and to study antibiotic resistance.
VerwendenBroad-spectrum semi-synthetic cephalosporin antibiotic.
Ergänzende Hinweise
DefinitionChEBI: An organic sodium salt that is the sodium salt of cefamandole.
Zugehörige Reaktionen
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