L-Cysteine, methyl ester, hydrochloride

HCID 2733208CAS 18598-63-5

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Grundinformationen

Standard-SMILES: COC(=O)[C@@H](N)CS.Cl
InChIKey: WHOHXJZQBJXAKL-DFWYDOINSA-N
Summenformel: C4H10ClNO2S
Durchschnittliche Molmasse: 171,65 g/mol
Monoisotopische Masse: 171,01207724

Überblick

Mecysteine hydrochloride is an alpha-amino acid ester.

Namen und Bezeichner

Bevorzugter Name: L-Cysteine, methyl ester, hydrochloride
IUPAC: methyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride

Namen und Synonyme

18598-63-5L-CYSTEINE METHYL ESTER HYDROCHLORIDEMecysteine hydrochlorideAcdrileActiolL-Cysteine, methyl ester, hydrochlorideL-Methylcysteine hydrochlorideMethyl L-cysteine hydrochlorideNSC-16161133RG619160METHYL (R)-2-AMINO-3-MERCAPTOPROPANOATE HYDROCHLORIDERefChem:810830

Weitere Namen anzeigen

mecysteine hydrochloride, (L)-242-435-0Methyl L-cysteinate hydrochlorideH-Cys-OMe.HClH-Cys-OMe HClL-Cystein methyl ester hydrochlorideMFCD00038985DTXSID9046520

Datenbank-Bezeichner

CAS: 18598-63-5、871018-11-0
PubChem CID: 2733208
DTXSID: DTXSID9046520
ChEMBL: CHEMBL1426508、CHEMBL1490495
ChEBI: CHEBI:31806
UNII: 33RG619160
EC Number: 242-435-0

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 53,3 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 9
Formalladung: 0
Komplexität: 86,1

Experimentelle und physikochemische Eigenschaften

Solubility · 3 Einträge

Soluble

Soluble (in ethanol)

>25.7 [ug/mL] (The mean of the results at pH 7.4)

Physical DescriptionWhite powder; Sulfur-like odour

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.

Warning

H315 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationL-Cysteine, methyl ester, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationAgents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here.