Methyldopate hydrochloride

Base Information

• Chemical Name: Methyldopate hydrochloride
• CAS No.: 2508-79-4
• Molecular Formula: C₁₂H₁₇NO₄*ClH
• Molecular Weight: 275.732
• Hs Code.: 2922504500
• European Community (EC) Number: 219-720-3
• UNII: 7PX435DN5A
• DSSTox Substance ID: DTXSID1045370
• Wikidata: Q27268695
• NCI Thesaurus Code: C47617
• ChEMBL ID: CHEMBL1200432
• Mol file: 2508-79-4.mol

Synonyms:METHYLDOPATE HYDROCHLORIDE;2508-79-4;Methyldopate HCL;Aldomet Ester hydrochloride;Methyldopa ethyl hydrochloride;Methyldopa ethyl ester hydrochloride;Ethyl methyldopate hydrochloride;Methyldopate (Hydrochloride);Methyldopate hydrochloride [USAN];EINECS 219-720-3;UNII-7PX435DN5A;7PX435DN5A;DTXSID1045370;L-3-(3,4-Dihydroxyphenyl)-2-methylalanine ethyl ester hydrochloride;Methyldopate hydrochloride [USAN:USP];NSC-760088;Methyldopa l-form ethyl ester hydrochloride;DTXCID9025370;L-Tyrosine, 3-hydroxy-alpha-methyl-, ethyl ester, hydrochloride;L-Tyrosine, 3-hydroxy-alpha-methyl-, ethyl ester, hydrochloride (1:1);L-Tyrosine, 3-hydroxy-?-methyl-, ethyl ester, hydrochloride;D0Y6KO;C12H17NO4.ClH;C12H17NO4.HCl;SCHEMBL41131;CHEMBL1200432;HY-B1696A;Methyldopate hydrochloride (USP);ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate;hydrochloride;Tox21_110525;AKOS040744521;ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate,hydrochloride;Tox21_110525_1;CCG-221038;NSC 760088;NCGC00185744-02;METHYLDOPATE HYDROCHLORIDE [MART.];METHYLDOPATE HYDROCHLORIDE [VANDF];METHYLDOPATE HYDROCHLORIDE [USP-RS];METHYLDOPATE HYDROCHLORIDE [WHO-DD];LS-174084;CS-0013686;D04997;METHYLDOPATE HYDROCHLORIDE [ORANGE BOOK];METHYLDOPATE HYDROCHLORIDE [USP MONOGRAPH];Q27268695;METHYLDOPA L-FORM ETHYL ESTER HYDROCHLORIDE [MI];L-Tyrosine, 3-hydroxy-.alpha.-methyl-, ethyl ester, hydrochloride;ethyl (S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate hydrochloride;Alanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, ethyl ester, hydrochloride,(-)-

Chemical Property of Methyldopate hydrochloride

Chemical Property:

• Vapor Pressure: 6.62E-07mmHg at 25°C
• Refractive Index: 1.572
• Boiling Point: 398 °C at 760 mmHg
• Flash Point: 194.5 °C
• PSA: 92.78000
• Density: 1.243g/cm³
• LogP: 2.42310
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 275.0924357
• Heavy Atom Count: 18
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

METHYLDOPATE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C(C)(CC1=CC(=C(C=C1)O)O)N.Cl
• Isomeric SMILES: CCOC(=O)[C@](C)(CC1=CC(=C(C=C1)O)O)N.Cl
• Uses: Ethyl methyldopate hydrochloride is Antihypertensive.
• Clinical Use: Ethyl methyldopate hydrochloride is used as a step 2 agent and is recommendedfor patients with high blood pressure who are not responsiveto diuretic therapy alone. Ethyl methyldopate hydrochloride, suitable for oral use,is a zwitterion and is not soluble enough for parenteral use.The problem was solved by making the ester, leaving theamine free to form the water-soluble hydrochloride salt. It issupplied as a stable, buffered solution, protected with antioxidantsand chelating agents.

Technology Process of Methyldopate hydrochloride

There total 1 articles about Methyldopate hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

ethanol (64-17-5) + methyldopa (555-30-6,555-29-3,88620-56-8) → (S)-2-Amino-3-(3,4-dihydroxy-phenyl)-2-methyl-propionic acid ethyl ester; hydrochloride (2508-79-4)

Guidance literature:

With hydrogenchloride; Reflux;

DOI:10.1002/ddr.21734

upstream raw materials:

ethanol

methyldopa

Refernces