(2R)-2-amino-3-sulfanylpropanoic acid hydrate hydrochloride

• ChemBase ID: 102386
• Molecular Formular: C3H10ClNO3S
• Molecular Mass: 175.6344
• Monoisotopic Mass: 175.00699187
• SMILES: O.Cl.N[C@@H](CS)C(=O)O
• Canonical SMILES: N[C@H](C(=O)O)CS.O.Cl
• InChI: InChI=1S/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2/t2-;;/m0../s1
• InChIKey: QIJRTFXNRTXDIP-JIZZDEOASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-sulfanylpropanoic acid hydrate hydrochloride
• IUPAC Traditional name: L-cysteine hydrate hydrochloride
• Synonyms: L-Cysteine hydrochloride hydrate; L-Cysteine hydrochloride monohydrate; Cysteine chlorhydrate; L-CYSTEINE HYDROCHLORIDE MONOHYDRATE; R)-2-Amino-3-mercaptopropanoic Acid Hydrochloride Hydrate; (R)-Cysteine Hydrochloride Hydrate; 2-Amino-3-mercaptopropionic Acid Hydrochloride Hydrate; Cystein Hydrochloride Hydrate; Cysteine Hydrochloride Hydrate; E 920 Hydrochloride Hydrate; Half-cystine Hydrochloride Hydrate; L-(+)-Cysteine Hydrochloride Hydrate; 3-Mercapto-L-alanine Hydrochloride Hydrate; L-Cys Hydrochloride Hydrate; NSC 8746 Hydrochloride Hydrate; Thioserine Hydrochloride Hydrate; β-Mercaptoalanine Hydrochloride Hydrate; H-Cys-OH.HCl.H2O; (R)-2-Amino-3-mercaptopropanoic acid hydrochloride hydrate; Cysteini hydrochloridum monohydricum; L-半胱氨酸 盐酸盐 水合物; L-半胱氨酸 盐酸盐 一水合物; L半胱氨酸 盐酸盐一水合物; L-盐酸半胱氨酸一水物

Database IDs

• CAS Number: 7048-04-6; 345909-32-2
• EC Number: 200-157-7
• MDL Number: MFCD00065606
• Beilstein Number: 5158059
• Merck Index: 142781
• PubChem SID: 24892797; 24892385; 24892992; 24892902; 162088095; 24858178; 24858173
• PubChem CID: 23462

CALCULATED PROPERTIES

• Acid pKa: 2.3459952
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.7920592
• LogD (pH = 7.4): -2.8006835
• Log P: -2.7921333
• Molar Refractivity: 28.2236 cm^3
• Polarizability: 11.415023 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble50 mg/mL; Methanol; Water
• Apperance: White Solid
• Melting Point: 166-170°C; 175°C; ca 175°C dec.
• Optical Rotation: [α]20/D +5.6±0.3°, c = 5% in 5 M HCl; [α]23/D +5.2°, c = 2 in 5 M HCl; +5.5 (c=5 in 5N HCl)
• Absorption Wavelength: λ: 260 nm Amax: 1.0; λ: 280 nm Amax: 0.3

Safety Information

• Storage Condition: Refrigerator; Room Temperature (15-30°C), Desiccate
• Storage Warning: Air Sensitive
• RTECS: HA2285000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 20-25°C; 2-8°C

Product Information

• Purity: ≥98%; ≥98% (TLC); ≥99.0%; ≥99.0% (RT); 98%; 99%
• Grade: EP; JIS special grade; Ph Eur; PharmaGrade; reagent grade; USP
• Suitability: cell culture tested; meets EP, USP testing specifications; suitable for cell culture; suitable for manufacturing use
• Ignition Residue: ≤0.05% (as SO4); ≤0.1% (as SO4)
• Impurities: ≤0.5% foreign amino acids; ≤1% foreign amino acids; endotoxin, tested; insoluble matter, passes filter test
• Cation Traces: Al: ≤10 mg/kg; As: ≤0.5 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤50 mg/kg; NH4+: ≤500 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: sulfate (SO42-): ≤100 mg/kg
• Biological Source: from non-animal source
• Quality Level: GMP-COMPENDIA
• λ: 1 M in H2O
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Product Line: BioUltra
• Linear Formula: HSCH2CH(NH2)CO2H·HCl·xH2O; HSCH2CH(NH2)COOH · HCl · H2O

DETAILS

MP Biomedicals - 02101446

Crystalline

Sigma Aldrich - C5610

Biochem/physiol Actions
NMDA glutamatergic receptor antagonist.
Packaging
Manufactured and Packaged under CGMP

Sigma Aldrich - 30129

Biochem/physiol Actions
NMDA glutamatergic receptor antagonist.

Sigma Aldrich - C121800

Packaging
100 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 30122

Biochem/physiol Actions
NMDA glutamatergic receptor antagonist.

Sigma Aldrich - 30130

Biochem/physiol Actions
NMDA glutamatergic receptor antagonist.

Sigma Aldrich - C7880

Biochem/physiol Actions
NMDA glutamatergic receptor antagonist.
Packaging
1 kg in poly bottle
100, 500 g in poly bottle
5 kg in poly drum

Sigma Aldrich - C6852

Biochem/physiol Actions
NMDA glutamatergic receptor antagonist.

Sigma Aldrich - 05-7470

Biochem/physiol Actions
NMDA glutamatergic receptor antagonist.

Toronto Research Chemicals - C995005

L-Cysteine is a non-essential amino acid that can be synthesized by the human body under normal physiological conditions if a sufficient quantity of methionine is available. L-Cysteine is commonly used as a precursor in the food and pharmaceutical industr

REFERENCES

• Hui, N. et al.: Meat Sci. Appl., 74 (2001)
• Kiviharju, K. et al.: J. Biotechnol., 117, 299 (2001)
• Pecivova, P. et al.: J. Sci. Food Agric., 90, 1681 (2001)