5'-Deoxy-5-fluorocytidine
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
66335-38-4- Standard-SMILES
C[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)[C@H](O)[C@@H]1O- InChIKey
YSNABXSEHNLERR-ZIYNGMLESA-N- Summenformel
- C9H12FN3O4
- Durchschnittliche Molmasse
- 245,21 g/mol
- Monoisotopische Masse
- 245,08118403
Namen und Bezeichner
- Bevorzugter Name
- 5'-Deoxy-5-fluorocytidine
- IUPAC
- 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
- Englischer Name
- 5'-Deoxy-5-fluorocytidine
- Summenformel
- C9H12FN3O4
- Molmasse
- 245.21
Namen und Synonyme
5'-Deoxy-5-fluorocytidine66335-38-4Cytidine, 5'-deoxy-5-fluoro-5'-DfcrCytidine, 5'-deoxy-5-fluoro8RWB05I6ONDTXSID00216543RefChem:100791DTXCID30139034690-482-44-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoropyrimidin-2(1H)-one5'-Deoxy-5-fluoro Cytidine
Weitere Namen anzeigen
5-F-5'-dC[2H2]-5-DFCRCapecitabine-1Capecitabine Imp.ADeoxy fluorocytidineCapecitabine USP RC ACapecitabine USP IMp.ACapecitabine Impurity 1
MFCD073692785-Fluoro-5'-deoxycytidineCapecitabine EP Impurity A4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidin-2-one4-aMino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-Methyloxolan-2-yl]-5-fluoro-1,2-dihydropyriMidin-2-oneUNII-8RWB05I6ON4-Amino-1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoropyrimidin-2(1H)-one (5'-Deoxy-5-fluorocytidine)5`-Deoxy-5-fluorocytidine
Datenbank-Bezeichner
- CAS
66335-38-4- PubChem CID
- 10037499
- DTXSID
DTXSID00216543- ChEMBL
CHEMBL3244492- ChEBI
CHEBI:80627- UNII
- 8RWB05I6ON
- EC Number
- 690-482-4
- Nikkaji
- J548.939C
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -1,6
- Polarare Oberfläche (TPSA)
- 108 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 411
Physikochemische Eigenschaften
- Schmelzpunkt
- 196 · 196-198°C
- Siedepunkt
- 437.9 · 437.9±55.0 °C(Predicted)
- Dichte
- 1.84 · 1.84±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 13.65 · 13.65±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Light Beige
- Stabilität
- HYGROSCOPIC
- Major Application
- pharmaceutical small molecule
- InChI
- 1S/C9H12FN3O4/c1-3-5(14)6(15)8(17-3)13-2-4(10)7(11)12-9(13)16/h2-3,5-6,8,14-15H,1H3,(H2,11,12,16)/t3-,5-,6-,8-/m1/s1
- InChIKey
- YSNABXSEHNLERR-ZIYNGMLESA-N
- SMILES
- FC1=CN(C(=O)N=C1N)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)C
- CAS Datenbank
- 66335 · 66335-38-4(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 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H350 (66.7%): May cause cancer [Danger Carcinogenicity]；H351 (33.3%): Suspected of causing cancer [Warning Carcinogenicity]；H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]；H411 (33.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P203, P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 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 CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Carc. 1A (66.7%)；Carc. 2 (33.3%)；Repr. 1B (100%)；Aquatic Chronic 2 (33.3%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 29349990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsKidney；Liver
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
5
Notizen zur Verbindung
Wird geladen…