Methyldopate
Basic information
- CAS
6014-30-8- Standard SMILES
CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1- InChIKey
SVEBYYWCXTVYCR-LBPRGKRZSA-N- Molecular formula
- C12H17NO4
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.11575802
Overview
Alpha-methyl-L-dopa ethyl ester is the ethyl ester of alpha-methyl-L-dopa. It has a role as an alpha-adrenergic agonist and an antihypertensive agent. It is an ethyl ester and a member of amphetamines. It is functionally related to an alpha-methyl-L-dopa.
Names & identifiers
- Preferred name
- Methyldopate
- IUPAC
- ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
- English name
- methyldopate
- Molecular formula
- C12H17NO4
- Molecular weight
- 239.27
Names & synonyms
METHYLDOPATE2579Z4P04J2544-09-4L-3-(3,4-Dihydroxyphenyl)-2-methylalanine ethyl esterRefChem:9257866014-30-8ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoatealpha-methyl-L-dopa ethyl esterCHEBI:94761ethyl 3-hydroxy-alpha-methyl-L-tyrosinateEthyl (S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoatealpha-Methyldopa ethyl ester
Show more names
methyldopa ethylSVEBYYWCXTVYCR-LBPRGKRZSA-NL-Tyrosine, 3-hydroxy-α-methyl-, ethyl esterethyl 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoateAlanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, ethyl ester, L-
Methyl-L-dopa ethyl esterstarbld0001650Epitope ID:768741METHYLDOPATE [VANDF]METHYLDOPATE [WHO-DD]SCHEMBL297359orb1693942CHEMBL1201233
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 398 · 398.0±37.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly)
- form
- Solid
- pka
- 9.83 · 9.83±0.10(Predicted)
- color
- Dark Brown to Black
- Stability
- Hygroscopic
- FDA UNII
- 2579 Z4P04J · 2579Z4P04J
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Drugs that inhibit the actions of the sympathetic nervous system by any mechanism. The most common of these are the ADRENERGIC ANTAGONISTS and drugs that deplete norepinephrine or reduce the release of transmitters from adrenergic postganglionic terminals (see ADRENERGIC AGENTS). Drugs that act in the central nervous system to reduce sympathetic activity (e.g., centrally acting alpha-2 adrenergic agonists, see ADRENERGIC ALPHA-AGONISTS) are included here.
Compounds that bind to and activate ADRENERGIC ALPHA-2 RECEPTORS.
Applications
UsesMethyldopate Hydrochloride is used in the successful treatment of murine neural blastoma. As well displays hypotensive effects.
Additional notes
DefinitionChEBI: Alpha-methyl-L-dopa ethyl ester is the ethyl ester of alpha-methyl-L-dopa. It has a role as an alpha-adrenergic agonist and an antihypertensive agent. It is a member of amphetamines and an ethyl ester. It is functionally related to an alpha-methyl-L-dopa.
Related reactions
0 records
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Compound notes
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