基本情報
- CAS
21891-56-5- 標準SMILES
Cc1ncc(CO)c(C2NC(C(=O)O)CS2)c1O- InChIKey
CDNKRUFYOOECEU-UHFFFAOYSA-N- 分子式
- C11H14N2O4S
- 平均分子量
- 270.31 g/mol
- 単同位体質量
- 270.06742811
概要
2-[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-4-thiazolidinecarboxylic acid is a hydroxypyridine, a member of methylpyridines and a member of thiazolidines.
名称と識別子
- 優先名称
- 2-[3-Hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid
- IUPAC
- 2-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1,3-thiazolidine-4-carboxylic acid
名称と別名
21891-56-52-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid2-(3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)-1,3-thiazolidine-4-carboxylic acidRefChem:455610837-291-6NSC6012932-(3-Hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)thiazolidine-4-carboxylic acid2-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,3-thiazolidine-4-carboxylicacid,Mixtureofdiastereomers2-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]thiazolidine-4-carboxylic acidSCHEMBL14836772CDNKRUFYOOECEU-UHFFFAOYSA-NCHEBI:195385
名称をさらに表示
EBC-195077NSC-601293(2-DL,4-L)-2-(3-Hydroxy-5-hydroxymethyl-2-methyl-4- pyridyl)thiazolidine-4-carboxylic acidPD166225EN300-7352099Z3564105874(2-DL,4-L)-2-(3-Hydroxy-5-hydroxymethyl-2-methyl-4-pyridyl)thiazolidine-4-carboxylic acid2-(3-Hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)thiazolidine-4-carboxylicacid
データベース識別子
- CAS
21891-56-5- PubChem CID
- 353316
- ChEBI
CHEBI:195385- EC Number
- 837-291-6
物性
構造計算による物性
- XLogP
- -2.7
- 極性表面積
- 128 Ų
- 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
- 3
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 317
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
関連反応
2 件
化合物ノート
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