基本情報
- CAS
143491-54-7- 標準SMILES
Nc1nc(=O)n(C2CSC(CO)O2)cc1F- InChIKey
XQSPYNMVSIKCOC-UHFFFAOYSA-N- 分子式
- C8H10FN3O3S
- 平均分子量
- 247.25 g/mol
- 単同位体質量
- 247.04269053
概要
Racivir, also known as RCV, is an oxothiolane nucleoside reverse transcriptase inhibitor similar to emtricitabine and lamivudine. Racivir is a 50:50 mixture of [emtricitabine] and its positive enantiomer. Racivir has been used in trials studying the prevention of HIV Infections.
名称と識別子
- 優先名称
- Racivir
- IUPAC
- 4-amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
- 英語名
- EMTRICITABINE
- 分子式
- C8H10FN3O3S
- 分子量
- 247.25
名称と別名
Racivir2',3'-Dideoxy-5-fluoro-3'-thiacytidine(rac)-emtricitabineDL-FTC1-(2-(Hydroxymethyl)oxathiolan-5-yl)-5-fluorocytosine5-Fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosineRefChem:9305372',3'-dideoxy-5-fluoro-3'-thiacytidine, (2S-cis)-143491-54-7ULS8902U4O144371-00-64-Amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,2-dihydropyrimidin-2-one
名称をさらに表示
524W91BW-52491COVIRACIL(-)-B-2',3'-DIDEOXY-5-FLUORO-3'-THIACYTIDINE2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-4-AMINO-5-FLUORO-1-[(2R,5S)-2-HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]-2-(1H-PYRIMIDINONEEmtricitabine Racemic MixtureQ: What is Emtricitabine Racemic Mixture Q: What is the CAS Number of Emtricitabine Racemic Mixture
4-amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-oneEmtricitabine impurity 434-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one4-amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-oneEmtricitabine, (+/-)-C8H10FN3O3SBW1592XQSPYNMVSIKCOC-UHFFFAOYSA-N
データベース識別子
- CAS
143491-54-7、144371-00-6- PubChem CID
- 9837769
- DTXSID
DTXSID60861371- ChEMBL
CHEMBL161381- Nikkaji
- J535.411K
物性
構造計算による物性
- XLogP
- -0.6
- 極性表面積
- 113 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 2
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 374
実験および物理化学的性質
DrugsPharmaceuticals
物理化学的性質
- 沸点
- 443.3 · 443.3±55.0 °C(Predicted)
- 比重(密度)
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 13.83 · 13.83±0.10(Predicted)
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
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