Methyldopate Hydrochloride
Basic information
- CAS
2508-79-4- Standard SMILES
CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1.Cl- InChIKey
QSRVZCCJDKYRRF-YDALLXLXSA-N- Molecular formula
- C12H18ClNO4
- Average molar mass
- 275.73 g/mol
- Monoisotopic mass
- 275.0924357
Overview
Methyldopate Hydrochloride is the hydrochloride salt form of methyldopa, a phenylalanine derivate and aromatic amino acid decarboxylase inhibitor with antihypertensive activity. Methyldopa is a prodrug and is metabolized in the central nervous system. The antihypertensive action of methyldopa seems to be attributable to its conversion into alpha-methylnorepinephrine, which is a potent alpha-2 adrenergic agonist that binds to and stimulates potent central inhibitory alpha-2 adrenergic receptors. This results in a decrease in sympathetic outflow and decreased blood pressure.
Names & identifiers
- Preferred name
- Methyldopate Hydrochloride
- IUPAC
- ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate;hydrochloride
- English name
- Ethyl methyldopate hydrochloride
- Molecular formula
- C12H17NO4.ClH
- Molecular weight
- 275.73
Names & synonyms
METHYLDOPATE HYDROCHLORIDE2508-79-4Methyldopate HCLMethyldopa ethyl ester hydrochlorideAldomet Ester hydrochlorideDTXSID1045370EINECS 219-720-3UNII-7PX435DN5A7PX435DN5ANSC-760088L-3-(3,4-Dihydroxyphenyl)-2-methylalanine ethyl ester hydrochlorideMethyldopa l-form ethyl ester hydrochloride
Show more names
METHYLDOPAETHYLHCLEthyl ester hydrochlorideQSRVZCCJDKYRRF-YDALLXLXSA-Nmethyldopa ethyl hydrochlorideEthyl methyldopa hydrochlorideethyl methyldopate hydrochlorideMethyldopate Hydrochloride (200 mg)
DTXCID9025370Methyldopate hydrochloride [USAN:USP]NSC 760088L-Tyrosine, 3-hydroxy-alpha-methyl-, ethyl ester, hydrochlorideMethyldopate hydrochloride (USAN:USP)METHYLDOPATE HYDROCHLORIDE (MART.)METHYLDOPATE HYDROCHLORIDE [MART.]METHYLDOPATE HYDROCHLORIDE (USP-RS)
Properties
Computed structural properties
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- crystalline powder
- Major Application
- pharmaceuticalpharmaceutical small molecule
- InChI
- 1S/C12H17NO4.ClH/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8;/h4-6,14-15H,3,7,13H2,1-2H3;1H/t12-;/m0./s1
- InChIKey
- QSRVZCCJDKYRRF-YDALLXLXSA-N
- SMILES
- [Cl-].N[C@](Cc1cc(c(cc1)O)O)(C)C(=O)OCC.[H+]
- FDA UNII
- 7 PX435DN5A · 7PX435DN5A
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- HS Code
- 2922504500 · 2922504500
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2922504500
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesEthyl methyldopate hydrochloride is Antihypertensive.
General DescriptionMethyldopatehydrochloride, L-3-(3,4-dihydroxyphenyl)-2-methylalanineethyl ester hydrochloride (Aldomet ester hydrochloride), α-methyldopa, lowers blood pressure by inhibitingthe outflow of sympathetic vasoconstrictor impulses fromthe brain. Early studies had suggested that the hypotensiveaction of α-methyldopa was a result of the peripheral propertiesof the drug as a decarboxylase inhibitor or a falsetransmitter.
Related reactions
0 records
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Compound notes
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