CAS 56271-94-4 (6R,7R)-7-(((2Z)-2-(2-Furanyl)-2-(methoxyimino)acetyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (HCID 9800056)

Namen und Bezeichner

Bevorzugter Name: (6R,7R)-7-(((2Z)-2-(2-Furanyl)-2-(methoxyimino)acetyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
IUPAC: (6R,7R)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Lokaler Name: [6R-[6α,7β(Z)]]-7-[2-Furyl(methoxyimino)acetamido]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsure
Englischer Name: [6R-[6alpha,7beta(Z)]]-7-[2-furyl(methoxyimino)acetamido]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Summenformel: C15H15N3O7S
Molmasse: 381.36

Namen und Synonyme

56271-94-4DTXSID601101388(6R,7R)-7-[[(2Z)-2-(2-Furanyl)-2-(methoxyimino)acetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid(6R,7R)-7-(((2Z)-2-(2-Furanyl)-2-(methoxyimino)acetyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidRefChem:1050692DTXCID801533084Descarbamoyl CefuroximeDecarbamylcefuroximeCefuroxime Sodium EP Impurity AG9A49M069D(6R-(6alpha,7beta(Z)))-7-(2-Furyl(methoxyimino)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Weitere Namen anzeigen

7-{[2-Furyl(methoxyimino)acetyl]amino}-3-(hydroxymethyl)-8-oxo-5- thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidCefuroxime EP Imp ADeacetylcefuroximeacidCefuroxime DescarbamoylCefuroxime EP Impurity ACefuroxim Sodium impurity A3-hydroxy methyl CefuroximeCefuroxime sodium impurity A(6R,7R)-7-((Z)-2-(furan-2-yl)

Descarbamoylcefuroxime(6R,7R)-7-((Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidEINECS 260-086-2UNII-G9A49M069DDescarbamoylcefuroxime, Cefuroxime Sodium Imp. A; 640/2; Ph Eur Cefuroxime Sodium Impurity ADCCForb1709896SCHEMBL4750949

Datenbank-Bezeichner

CAS: 56271-94-4
PubChem CID: 9800056
DTXSID: DTXSID601101388
UNII: G9A49M069D
EC Number: 260-086-2
Nikkaji: J584.615C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 167 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 6
Schwere Atome: 26
Formalladung: 0
Komplexität: 693

Physikochemische Eigenschaften

Dichte: 1.71 · 1.71±0.1 g/cm3(Predicted)
Dampfdruck: 3 Pa · 3Pa at 20℃
storage temp.: -20 °C · -20°C Freezer, Under Inert Atmosphere
Löslichkeit: DMSO: soluble
Aggregatzustand: A solid
pka: 2.75 · 2.75±0.50(Predicted)
Wasserlöslichkeit: 1 mg/L · 1mg/L
Stabilität: Hygroscopic
InChIKey: OUSLHGWWWMRAIG-FBCAJUAOSA-N
SMILES: N12[C@@]([H])([C@H](NC(/C(/C3=CC=CO3)=N\OC)=O)C1=O)SCC(CO)=C2C(O)=O
LogP: -1.01 · -1.01

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

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 3 reports by companies from 1 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

Regulatory InformationStatus: No longer Valid Update: 02-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26162；Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24201

Hazard Classes and CategoriesSkin Sens. 1 (100%)；Resp. Sens. 1 (100%)

Regulatorische Informationen

Regulatory InformationStatus: No longer Valid Update: 02-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26162；Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24201