基本情報
- 標準SMILES
O=C(O)C1CSCN1- InChIKey
DZLNHFMRPBPULJ-UHFFFAOYSA-N- 分子式
- C4H7NO2S
- 平均分子量
- 133.17 g/mol
概要
Thioproline is a sulfur-containing amino acid that is proline in which the methylene group at position 4 is replaced by a sulfur atom. It has a role as an antioxidant, an antidote and a hepatoprotective agent. It is a sulfur-containing amino acid, a thiazolidinemonocarboxylic acid and a non-proteinogenic alpha-amino acid. It is a tautomer of a thioproline zwitterion.
名称と識別子
- 優先名称
- Timonacic
- IUPAC
- 1,3-thiazolidine-4-carboxylic acid
名称と別名
TimonacicThiazolidine-4-carboxylic acid444-27-94-THIAZOLIDINECARBOXYLIC ACID1,3-Thiazolidine-4-carboxylic acidDetoxepaHepalidineThioprolineThiaprolineTiazolidinNorgamemDL-Thiaproline
名称をさらに表示
4-CarboxythiazolidineNorgamenTimonacicoHeparegenTimonacicumNSC-25855HepacomDL-Thiazolidinecarboxylic acid
データベース識別子
- CAS
444-27-9- PubChem CID
- 9934
- ChEMBL
CHEMBL1235440、CHEMBL358722- ChEBI
CHEBI:64564- UNII
- E5913T3IBL
- EC Number
- 207-146-6
- Nikkaji
- J5.746K
物性
構造計算による物性
- XLogP
- -2.3
- 極性表面積
- 74.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 1
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 106
安全と法規制
GHS分類
GHS Classification
Warning
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
Agents counteracting or neutralizing the action of POISONS.
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
用途と製造
Household ProductsInformation on 1 consumer products that contain Timonacic in the following categories is provided:
General Manufacturing Information4-Thiazolidinecarboxylic acid: INACTIVE
関連反応
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関連ノート
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