5-Fluorouridine

HCID 9427CAS 316-46-1

기본 정보

표준 SMILES: O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F
InChIKey: FHIDNBAQOFJWCA-UAKXSSHOSA-N
분자식: C9H11FN2O6
평균 분자량: 262.19 g/mol
단동위원소 질량: 262.06011429

개요

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.

이름 및 식별자

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

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -1.7
극성 표면적: 119 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 414

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Metabolite of Fluorouracil

Pharmaceuticals -> Listed in ZINC15

안전 및 규제

GHS 분류

GHS Classification · 4건

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.