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基本情報
- CAS
40925-28-8- 標準SMILES
NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)n1- InChIKey
SDWIOXKHTFOULX-AFCXAGJDSA-N- 分子式
- C8H13N4O8P
- 平均分子量
- 324.18 g/mol
- 単同位体質量
- 324.04710038
名称と識別子
- 優先名称
- Ribavirin monophosphate
- IUPAC
- [(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
- 英語名
- ribavirin-5'-phosphate
- 分子式
- C8H13N4O8P
- 分子量
- 324.19
名称と別名
Ribavirin monophosphate40925-28-8Ribavirin-5'-phosphateRibavirin 5'-monophosphateRibavirin 5'-phosphate1-(5-O-Phosphono-beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamideO9FVV27P11CHEBI:45490DTXSID20193928NSC-274937RefChem:930750DTXCID60116419
名称をさらに表示
Ribavirin 5'-monophosphate sodium saltResorcinol Impurity 38Ribavirin-5′,-monophosphate1H-1,2,4-Triazole-3-carboxamide, 1-(5-O-phosphono-β-D-ribofuranosyl)-[(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate((2R,3S,4R,5R)-5-(3-carbamoyl-1H-1,2,4-triazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
1 beta-D-ribofuranosyl-1,2,4-triazole-3-carboxamide-5'-phosphate(((2R,3S,4R,5R)-5-(3-carbamoyl-1H-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)phosphonic acidVirazole 5'-phosphateICN 38471beta-D-Ribofuranosyl-1,2,4-triazole-3-carboxamide-5'-phosphate1H-1,2,4-Triazole-3-carboxamide, 1-(5-O-phosphono-.beta.-D-ribofuranosyl)-RVPUNII-O9FVV27P11
データベース識別子
- CAS
40925-28-8- PubChem CID
- 100252
- DTXSID
DTXSID20193928- ChEMBL
CHEMBL1235764- ChEBI
CHEBI:45490- UNII
- O9FVV27P11
- Nikkaji
- J485.213C
物性
構造計算による物性補完中
- XLogP
- -3.5
- 極性表面積
- 190 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 10
- 回転可能結合数
- 5
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 446
物理化学的性質
- 沸点
- 767.3 · 767.3±70.0 °C(Predicted)
- 比重(密度)
- 2.33 · 2.33±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 1.86 · 1.86±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.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
応用分野
使用Ribavirin Monophosphate, is a metabolite of Ribavirin (R414475), a urine nucleoside analog; inhibits inosine monophosphate dehydrogenase (IMPDH). Used as an antiviral agent.
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