옥소티아졸리딘카복실릭애씨드

Procysteine

HCID 72390CAS 19771-63-2

기본 정보

표준 SMILES: O=C1N[C@H](C(=O)O)CS1
InChIKey: BMLMGCPTLHPWPY-REOHCLBHSA-N
분자식: C4H5NO3S
평균 분자량: 147.15 g/mol
단동위원소 질량: 146.99901402

개요

(4R)-2-oxo-4-thiazolidinecarboxylic acid is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.

이름 및 식별자

우선 이름: Procysteine
IUPAC: (4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid
현지명: 옥소티아졸리딘카복실릭애씨드
영어명: Procysteine
분자식: C4H5NO3S
분자량: 147.15

이름 및 동의어

Procysteine19771-63-2(R)-2-Oxothiazolidine-4-carboxylic acidoxothiazolidinecarboxylic acid(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acidKoprosteineL-2-Oxothiazolidine-4-carboxylic acid4-Thiazolidinecarboxylic acid, 2-oxo-, (4R)-L-2-Oxo-4-thiazolidinecarboxylic acid4-Thiazolidinecarboxylic acid, 2-oxo-, L-(-)-2-Oxo-4-thiazolidinecarboxylic acidX7063P804E

이름 더 보기

옥소티아졸리딘카복실릭애씨드OTCOTZL-2-Thiazolidione-4-carboxylic acidH-L-OXOTHZ-OHProcysteine USP/EP/BPOxothiazolidine carboxylatel-4-thiazolidinecarboxylicaci

DTXSID5013182472-oxo-l-thiazolidine-4-carboxylic acid2-OXO-4-THIAZOLIDINECARBOXYLIC ACID, L-2-oxo-4-thiazolidine carboxylic acidRefChem:930008L-2-OTZD-4-CXADTXCID5017480342-Oxothiazolidine-4-carboxylic acid

데이터베이스 식별자

CAS: 19771-63-2
PubChem CID: 72390
DTXSID: DTXSID501318247
ChEMBL: CHEMBL442218
ChEBI: CHEBI:125673
UNII: X7063P804E
EC Number: 606-375-2
Nikkaji: J47.648J

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 91.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 158

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점: 174 °C · 174 °C (dec.)(lit.)
밀도: 1.582 · 1.582±0.06 g/cm3(Predicted)
굴절률: -64 ° · -64 ° (C=1, H2O)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
물리적 상태: 가루
산도 계수 (pKa): pKa (22°): 3.32
색상: 흰색에서 황백색까지
수용성: 물에 용해됨
Merck: 13 · 13,7019
BRN: 4179169 · 4179169
화장품 원료 기능: 피부 컨디셔닝
InChI: InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
InChIKey: BMLMGCPTLHPWPY-REOHCLBHSA-N
SMILES: S1C[C@@H](C(O)=O)NC1=O

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)

안전 데이터

wgk: 3
rtecs: XJ5426650
HS 번호: 2934.20.8000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도(R)-(-)-2-Oxothiazolidine-4-carboxylic Acid or Procysteine is a precursor to glutathione (GSH) which is an important antioxidant in plants, animals and fungi.