Grundinformationen
- Standard-SMILES
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1F- InChIKey
ODKNJVUHOIMIIZ-UHFFFAOYSA-N- Summenformel
- C9H11FN2O5
- Durchschnittliche Molmasse
- 246,19 g/mol
- Monoisotopische Masse
- 246,06519967
Überblick
5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione is a pyrimidine 2'-deoxyribonucleoside.
Namen und Bezeichner
- Bevorzugter Name
- 5-Fluoro-2'-deoxyuridine
- IUPAC
- 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- Lokaler Name
- 5-Fluor-2'-desoxyuridin
- Englischer Name
- Floxuridine
- Summenformel
- C9H11FN2O5
- Molmasse
- 246.19
Namen und Synonyme
5-Fluoro-2'-deoxyuridineDTXSID70274397RefChem:913372DTXCID402258765-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione2968-28-71397179-21-35-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4(1H,3H)-dioneRo 5-0360(+)-5-fluoro-2'-deoxyuridineUridine, 2'-deoxy-5'-fluoro-
Weitere Namen anzeigen
FUDRFDUR5-FLUORODEOXYURIDINE5-FUDR5-Fluoro-1-((2R,4S,5R)-4-hydroxy-5-(hydroxyMethyl)tetrahydrofuran-2-yl)pyriMidine-2,4(1H,3H)-dione5-FLUORO-2-DEOXYURIDINE2'-Deoxy-5-fluorouridineFUDFloxuridinfluorodeoxyuridine
floxuridine (fudr)2'-Deoxy-5-fluoro-uridinNeuro_000015CHEMBL6628NCIOpen2_002917SCHEMBL2050487SCHEMBL27146731CHEBI:94445
Datenbank-Bezeichner
- CAS
2968-28-7、50-91-9、955-24-8- PubChem CID
- 3363
- DTXSID
DTXSID70274397- ChEMBL
CHEMBL6628- ChEBI
CHEBI:94445
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,2
- Polarare Oberfläche (TPSA)
- 99,1 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 386
Physikochemische Eigenschaften
- Schmelzpunkt
- 148 °C · 148 °C(lit.)
- Siedepunkt
- 150 °C · 150 °C
- Dichte
- 1.3751 · 1.3751 (estimate)
- storage temp.
- room temp
- Löslichkeit
- 100 mM · Soluble to 100 mM in water and to 100 mM in DMSO
- pka
- 7.44 · pKa 7.44 (Uncertain)
- Aggregatzustand
- Powder
- Farbe
- White to almost white
- Biologische Quelle
- synthetic (organic)
- Wasserlöslichkeit
- soluble
- Merck
- 14 · 14,4112
- BRN
- 2645818 · 2645818
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- Major Application
- pharmaceutical small molecule
- InChI
- 1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
- InChIKey
- ODKNJVUHOIMIIZ-GFCOJPQKSA-N
- SMILES
- OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(F)C(=O)NC2=O
- CAS Datenbank
- 50 · 50-91-9(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Uridine, 2'-deoxy-5-fluoro-(50-91-9)
- EPA chemische Informationen
- Floxuridine (50-91-9)
Sicherheit und Regulatorisches
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29349990
- RTECS-Nr.
- YU7525000
- risk_code
- 22-68-36/37/38-40-20/21/22
- Toxizität
- LD50 oral in rat: 215mg/kg
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic
- safety_code
- 22-36-36/37/39-26
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Giftige Stoffe Daten
- 50-91-9(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Anwendungen
VerwendenFloxuridine USP is used in Palliative treatment of gastrointestinal adenocarcinoma with liver metastases.
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Ergänzende Hinweise
DefinitionChEBI: A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.
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