(R)-[[(4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino]phenylessig sure
(R)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetic acid
Grundinformationen
- CAS
63422-71-9- Standard-SMILES
CCN1CCN(C(=O)N[C@@H](C(=O)O)c2ccccc2)C(=O)C1=O- InChIKey
JQEHQELQPPKXRR-LLVKDONJSA-N- Summenformel
- C15H17N3O5
- Durchschnittliche Molmasse
- 319,31 g/mol
- Monoisotopische Masse
- 319,11682065
Namen und Bezeichner
- Bevorzugter Name
- (R)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetic acid
- IUPAC
- (2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
- Lokaler Name
- (R)-[[(4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino]phenylessig sure
- Englischer Name
- (2R)-2-[(4-Ethyl-2,3-dioxopiperazinyl)carbonylamino]-2-phenylacetic acid
- Summenformel
- C15H17N3O5
- Molmasse
- 319.31
Namen und Synonyme
63422-71-9(R)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetic acidEINECS 264-133-8YG582EF7NG(R)-(((4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl)amino)phenylaceticacidDTXSID50212838EC 264-133-8(R)-(((4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl)amino)phenylacetic acidPIPERACILLIN SODIUM IMPURITY G (EP IMPURITY)PIPERACILLIN SODIUM IMPURITY G [EP IMPURITY](R)-[[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino]phenylacetic acidBENZENEACETIC ACID, .ALPHA.-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-, (.ALPHA.R)-
Weitere Namen anzeigen
EPCPamino]-2-phenyL(2R)-2-[(4-EthyL-2,3-dioxopiperazinyLGulacillin impurity GPiperacillin Impurity Gpiperacillin EP Impurity G(2R)-2-[[(4-Ethyl-2,3-dioxopiperaziPiperacillin Impurity 7(EP Impurity G)
BENZENEACETIC ACID, .ALPHA.-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-, (R)-RefChem:407176DTXCID80135329BENZENEACETIC ACID, ALPHA-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-, (ALPHAR)-BENZENEACETIC ACID, ALPHA-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-, (R)-(2R)-2-[(4-ETHYL-2,3-DIOXOPIPERAZINYL)CARBONYLAMINO]-2-PHENYLACETIC ACIDPiperacillin Sodium EP Impurity G(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
Datenbank-Bezeichner
- CAS
63422-71-9- PubChem CID
- 2733658
- DTXSID
DTXSID50212838- UNII
- YG582EF7NG
- EC Number
- 264-133-8
- Nikkaji
- J349.174I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 107 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 501
Physikochemische Eigenschaften
- Schmelzpunkt
- 171 °C · 171 °C (dec.)(lit.)
- Siedepunkt
- 458.35 °C · 458.35°C (rough estimate)
- Dichte
- 1.2231 · 1.2231 (rough estimate)
- Brechungsindex
- 1.56 · 1.5600 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Sparingly), Methanol (Sparingly)
- Aggregatzustand
- Solid
- pka
- 3.19 · 3.19±0.10(Predicted)
- Farbe
- White to Off-White
- CAS Datenbank
- 63422 · 63422-71-9(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
Warning
H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationREACH registered substance: (R)-[[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino]phenylacetic acid (EC: 264-133-8)
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933.79.1500
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
Chemie und Industrie
Anwendungen
Verwenden(2R)-2-[(4-Ethyl-2,3-dioxopiperazinyl)carbonylamino]-2-phenylacetic acid is used in the preparation of cephem derivatives, as antibacterial agents.
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