基本情報
- CAS
221321-45-5- 標準SMILES
CC(C)[C@@]1(C)N=C(c2ncccc2C(=O)O)NC1=O- InChIKey
CLQMBPJKHLGMQK-CYBMUJFWSA-N- 分子式
- C13H15N3O3
- 平均分子量
- 261.28 g/mol
- 単同位体質量
- 261.11134135
概要
(R)-imazapyr is a 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid that has R configuration. It is a conjugate acid of a (R)-imazapyr(1-). It is an enantiomer of a (S)-imazapyr.
名称と識別子
- 優先名称
- 2-((4R)-4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid
- IUPAC
- 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylic acid
名称と別名
Imazapyr, (R)-221321-45-503N9T53AOY2-((4R)-4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid2-((4R)-4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 2-((4R)-4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-DTXSID3011165302-[(4R)-4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-pyridinecarboxylic acidRefChem:909005DTXCID901548107(R)-ImazapyrUNII-03N9T53AOY
名称をさらに表示
(R)-2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acidSCHEMBL7547766SCHEMBL29820289CHEBI:1331882-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylic acid2-[(4R)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acidQ272475762-[(R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]nicotinic acid
データベース識別子
- CAS
221321-45-5- PubChem CID
- 766748
- DTXSID
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 91.7 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
- 3
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 433
化学と産業
薬理情報
MeSH Pharmacological ClassificationPesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.
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