(6R-trans)-7-Amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsure
Cefazolin deacylated
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Grundinformationen
- CAS
30246-33-4- Standard-SMILES
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](N)[C@H]3SC2)s1- InChIKey
HJSGHKMSDOLGJJ-HZGVNTEJSA-N- Summenformel
- C11H12N4O3S3
- Durchschnittliche Molmasse
- 344,4 g/mol
- Monoisotopische Masse
- 344,00715378
Namen und Bezeichner
- Bevorzugter Name
- Cefazolin deacylated
- IUPAC
- (6R,7R)-7-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- Lokaler Name
- (6R-trans)-7-Amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsure
- Englischer Name
- 7-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-ylthio)methyl]-3-cephem-4-carboxylic Acid
- Summenformel
- C11H12N4O3S3
- Molmasse
- 344.43
Namen und Synonyme
30246-33-4(6R,7R)-7-Amino-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidNUA2X3C4S1EINECS 250-099-17-ZACA(6R,7R)-7-Amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidEC 250-099-1(6R-trans)-7-Amino-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid7-Amino-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7R)-CEFAZOLIN SODIUM IMPURITY A [EP IMPURITY](6R-trans)-7-Amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-AMINO-3-(((5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Weitere Namen anzeigen
TDA7-TDACefazolin IMpurity ACefazolin Impurity EP-ACefazolin USP Impurity KCefuroxime nucleus (7-TDA)Cefazolin Sodium Impurity AParent nucleus of cefazedone (7-TDA)Cefazolin Impurity 7(Cefazolin EP Impurity A)
(6R,7R)-7-amino-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-AMINO-3-(((5-METHYL-1,3,4-THIADIAZOL-2-YL)THIO)METHYL)-8-OXO-, (6R,7R)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-AMINO-3-(((5-METHYL-1,3,4-THIADIAZOL-2-YL)THIO)METHYL)-8-OXO-, (6R-TRANS)-CEFAZOLIN SODIUM IMPURITY A (EP IMPURITY)RefChem:574970250-099-1Cefazolin EP Impurity AC11H12N4O3S3
Datenbank-Bezeichner
- CAS
30246-33-4- PubChem CID
- 6350581
- DTXSID
DTXSID101103989- UNII
- NUA2X3C4S1
- EC Number
- 250-099-1
- Nikkaji
- J249.944D
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -3,2
- Polarare Oberfläche (TPSA)
- 188 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 515
Physikochemische Eigenschaften
- Schmelzpunkt
- 174 °C · >174°C (dec.)
- Siedepunkt
- 678.2 · 678.2±65.0 °C(Predicted)
- Dichte
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- 3 · CHCl3 (Slightly, Heated), DMF (Very Slightly), DMSO (Slightly)
- pka
- 2.52 · 2.52±0.50(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Light Yellow to Brown
- InChI
- InChI=1S/C11H12N4O3S3/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18/h6,9H,2-3,12H2,1H3,(H,17,18)/t6-,9-/m1/s1
- InChIKey
- HJSGHKMSDOLGJJ-HZGVNTEJSA-N
- SMILES
- N12[C@@]([H])([C@H](N)C1=O)SCC(CSC1=NN=C(C)S1)=C2C(O)=O
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
H302 (84.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (84.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (15.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (84.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (15.4%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (84.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 13 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
Regulatory InformationStatus: Active Update: 16-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30119
Hazard Classes and CategoriesAcute Tox. 4 (84.6%)；Skin Irrit. 2 (84.6%)；Skin Sens. 1 (15.4%)；Eye Irrit. 2 (84.6%)；Resp. Sens. 1 (15.4%)；STOT SE 3 (84.6%)
Regulatorische Informationen
Regulatory InformationStatus: Active Update: 16-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30119
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anwendungen
Verwenden7-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-ylthio)methyl]-3-cephem-4-carboxylic Acid is a substrate used in the assessment of immobilized PGA orientation and in the synthesis of beta lactam antibiotics.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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