L-티오프롤린

L-Thioproline

HCID 93176CAS 2756-91-4

기본 정보

표준 SMILES: O=C(O)[C@@H]1CSCN1
InChIKey: DZLNHFMRPBPULJ-VKHMYHEASA-N
분자식: C4H7NO2S
평균 분자량: 133.17 g/mol

개요

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.

이름 및 식별자

우선 이름: L-Thioproline
IUPAC: (4R)-1,3-thiazolidine-4-carboxylic acid
현지명: L-티오프롤린
영어명: L-THIOPROLINE
분자량: 0

이름 및 동의어

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

이름 더 보기

L-티오프롤린Ccris 8099

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

데이터베이스 식별자

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

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

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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%)