5-Fluorouridine

HCID 9427CAS 316-46-1

基本情報

標準SMILES: O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F
InChIKey: FHIDNBAQOFJWCA-UAKXSSHOSA-N
分子式: C9H11FN2O6
平均分子量: 262.19 g/mol
単同位体質量: 262.06011429

概要

5-fluorouridine is an organofluorine compound that is uridine bearing a fluoro substituent at position 5 on the uracil ring. It has a role as a mutagen. It is a member of uridines and an organofluorine compound.

名称と識別子

優先名称: 5-Fluorouridine
IUPAC: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione

名称と別名

5-Fluorouridine316-46-15-Fur5-Fluoro-uridine5-Fluorouracil 1beta-D-ribofuranosideDTXSID40403971-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dioneNSC-1466044K0M952561CHEBI:401541-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione

名称をさらに表示

1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-5-fluoropyrimidine-2,4-dioneRefChem:102673DTXCID2020397206-260-3Uridine, 5-fluoro-1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-fluoropyrimidine-2,4(1H,3H)-dione5-Fluoro Uridinefluorouridine

データベース識別子

CAS: 316-46-1
PubChem CID: 9427
DTXSID: DTXSID4040397
ChEMBL: CHEMBL54918
ChEBI: CHEBI:40154
UNII: 4K0M952561
EC Number: 206-260-3
Nikkaji: J36.572F

物性

構造計算による物性

XLogP: -1.7
極性表面積: 119 Å²
水素結合供与体数: 4
水素結合受容体数: 7
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 414

実験および物理化学的性質

Drugs · 2 件

Pharmaceuticals -> Metabolite of Fluorouracil

Pharmaceuticals -> Listed in ZINC15

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.