L-Thioproline

HCID 93176CAS 2756-91-4

基本情報

標準SMILES: O=C(O)[C@@H]1CSCN1
InChIKey: DZLNHFMRPBPULJ-VKHMYHEASA-N
分子式: C4H7NO2S
平均分子量: 133.17 g/mol

概要

L-thioproline is an optically active version of thioproline having L-configuration. It has a role as a geroprotector and a metabolite. It is a thiazolidinemonocarboxylic acid and a thioproline.

名称と識別子

優先名称: L-Thioproline
IUPAC: (4R)-1,3-thiazolidine-4-carboxylic acid
英語名: L-THIOPROLINE
分子量: 0

名称と別名

34592-47-7L-Thioproline(R)-Thiazolidine-4-carboxylic acidL-Thiaproline(4R)-1,3-thiazolidine-4-carboxylic acid4-thiaproline(R)-4-Thiazolidinecarboxylic acid(4R)-4-Thiazolidinecarboxylic acidgamma-thioprolineThioproline, L-4-Thiazolidinecarboxylic acid, (4R)-(R)-(-)-4-Thiazolidinecarboxylic acid

名称をさらに表示

Ccris 8099

(R)-(-)-Thiazolidine-4-carboxylic Acid4-Thiazolidinecarboxylic acid, L-Timonacic, (R)-CCRIS 3646EINECS 252-106-3KL096K0KXL4-Thiazolidinecarboxylic acid, (R)-DTXSID3046536

データベース識別子

CAS: 2756-91-4、34592-47-7
PubChem CID: 93176
ChEMBL: CHEMBL1235440
ChEBI: CHEBI:45171
UNII: KL096K0KXL
EC Number: 252-106-3
Nikkaji: J136.608D

物性

構造計算による物性

XLogP: -2.3
極性表面積: 74.6 Å²
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

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (74%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 104 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 18-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/33531

4-Thiazolidinecarboxylic acid, (4R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 3 (74%)