Ertapenem Sodium
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
153773-82-1- Standard-SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)[O-])c4)C3)[C@H](C)[C@H]12.[Na+]- InChIKey
ZXNAQFZBWUNWJM-HRXMHBOMSA-M- Summenformel
- C22H24N3NaO7S
- Durchschnittliche Molmasse
- 497,5 g/mol
- Monoisotopische Masse
- 497,12326557
Namen und Bezeichner
- Bevorzugter Name
- Ertapenem Sodium
- IUPAC
- sodium 3-[[(2S,4S)-4-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]pyrrolidine-2-carbonyl]amino]benzoate
- Englischer Name
- Ertapenem sodium
- Summenformel
- C22H26N3NaO7S
- Molmasse
- 499.51
Namen und Synonyme
Ertapenem sodium153773-82-1Ertapenem sodium saltMK-0826L-749345CHEBI:600702T90KE67L0RefChem:56903InvanzInvanz (TN)sodium 3-((2S,4S)-4-(((4R,5S,6S)-2-carboxy-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl)thio)pyrrolidine-2-carboxamido)benzoateErtapenem sodium (USAN)
Weitere Namen anzeigen
ErtapeneM MonosodiuM3-(((3SL 749345EtapeneMEtapenem sodiumErtapeneM CrudeErtapenem Impurity 16TIANFU CHEM---EtapeneM
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,3-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, monosodium salt, (4R,5S,6S)-MK-826Ertapenem Sodium?sodium;3-[[(2S,4S)-4-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]pyrrolidine-2-carbonyl]amino]benzoateMSK7021Naorb1221314orb1302387orb3141303
Datenbank-Bezeichner
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 184 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 900
Physikochemische Eigenschaften
- Schmelzpunkt
- 174 oC · >174oC (dec.)
- storage temp.
- -70 °C · -70°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly), Water (Slightly, Sonicated)
- Aggregatzustand
- powder
- Farbe
- white to beige
- Wasserlöslichkeit
- Fully miscible in water. Soluble in DMSO.
- Stabilität
- Hygroscopic, Temperature Sensitive
- InChIKey
- FYIATPOZJSVTLD-KBQNSVMINA-N
- SMILES
- C(C1=C([C@H](C)[C@]2([H])[C@@]([H])([C@H](O)C)C(=O)N12)S[C@@H]1CN[C@H](C(=O)NC2C=CC=C(C(=O)O)C=2)C1)(=O)O.[NaH] |&1:3,5,7,9,16,19,r|
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
H334 (97.2%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H400 (97.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H411 (97.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P233, P260, P271, P273, P284, P304+P340, P342+P316, P391, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 36 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesResp. Sens. 1 (97.2%)；Aquatic Acute 1 (97.2%)；Aquatic Chronic 2 (97.2%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Ertapenem sodium
Ambiguous-DILI-concern
3
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
ERTAPENEM SODIUM
Penem Antibacterial [EPC]; Carbapenems [CS]
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Anwendungen
VerwendenErtapenem sodium has been used as a carbapenem in the NitroSpeed-Carba NP test in minimum inhibitory concentration (MIC) testing for differentiation of carbapenemases in Enterobacterales and Pseudomonas aeruginosa. It has also been used as an antibiotic to study its effects on the survival of septic mice.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter
Zugehörige Reaktionen
1
Notizen zur Verbindung
Wird geladen…