Timonacic

HCID 9934CAS 444-27-9

기본 정보

표준 SMILES: O=C(O)C1CSCN1
InChIKey: DZLNHFMRPBPULJ-UHFFFAOYSA-N
분자식: C4H7NO2S
평균 분자량: 133.17 g/mol

개요

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.

이름 및 식별자

우선 이름: Timonacic
IUPAC: 1,3-thiazolidine-4-carboxylic acid

이름 및 동의어

TimonacicThiazolidine-4-carboxylic acid444-27-94-THIAZOLIDINECARBOXYLIC ACID1,3-Thiazolidine-4-carboxylic acidDetoxepaHepalidineThioprolineThiaprolineTiazolidinNorgamemDL-Thiaproline

이름 더 보기

4-CarboxythiazolidineNorgamenTimonacicoHeparegenTimonacicumNSC-25855HepacomDL-Thiazolidinecarboxylic acid

데이터베이스 식별자

CAS: 444-27-9
PubChem CID: 9934
ChEMBL: CHEMBL1235440、CHEMBL358722
ChEBI: CHEBI:64564
UNII: E5913T3IBL
EC Number: 207-146-6
Nikkaji: J5.746K

물성

구조 계산 물성

XLogP: -2.3
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 106

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 4건

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.