H-D-Met-OMe·HCl - ≥98% , CAS No.69630-60-0

CAS: 69630-60-0 Cat. No.: M116996 Molecular Weight: 199.7

GRADE & PURITY ≥98%

Synonyms

(D)Methionine methyl ester hydrochloride | AS-17645 | MEVUPUNLVKELNV-NUBCRITNSA-N | D-Methionine methyl ester hydrochloride (H-D-Met-OMe.HCl) | EN300-7374573 | AKOS006345758 | DTXSID60512376 | Methyl D-methioninate--hydrogen chloride (1/1) | F10996 | SCHE

Storage

Room temperature

Shipped In

Normal

Overview

Application：

D-Methionine methyl ester is a protected form of D-Methionine (M260550). D-Methionine is an isomer of L-Methionine (M260440), and is known to be a cytoprotectant against Cisplatin (C499500), an anticancer agent. D-Methionine is also used to prevent noise- and drug-induced hearing loss, as well as hair loss (all of which may also be caused by Cisplatin or aminoglycosides).

Specifications

Synonyms

(D)Methionine methyl ester hydrochloride | AS-17645 | MEVUPUNLVKELNV-NUBCRITNSA-N | D-Methionine methyl ester hydrochloride (H-D-Met-OMe.HCl) | EN300-7374573 | AKOS006345758 | DTXSID60512376 | Methyl D-methioninate--hydrogen chloride (1/1) | F10996 | SCHE

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC(=O)C(CCSC)N.Cl
• IUPAC Name: methyl (2R)-2-amino-4-methylsulfanylbutanoate;hydrochloride
• InChIKey: MEVUPUNLVKELNV-NUBCRITNSA-N
• INCHI: 1S/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/m1./s1
• Isomeric SMILES: COC(=O)[C@@H](CCSC)N.Cl
• Molecular Weight: 199.7
• Reaxy-Rn: 3913212
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3913212&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Methionine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Methionine and derivatives
• Alternative Parents: Alpha amino acid esters Fatty acid esters Quaternary ammonium salts Methyl esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methionine or derivatives - Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Quaternary ammonium salt - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic chloride salt - Carbonyl group - Organic salt - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 199.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 199.043 Da
• Monoisotopic Mass: 199.043 Da
• Topological Polar Surface Area: 77.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 108.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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