Alpha-methyl-melevodopa
Basic information
- CAS
18181-08-3- Standard SMILES
COC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1- InChIKey
MKFJJXIMFTXSEM-NSHDSACASA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.10010796
Names & identifiers
- Preferred name
- Alpha-methyl-melevodopa
- IUPAC
- methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
- English name
- α-Methyl-3,4-dihydroxy-L-phenylalanine methyl ester
- Molecular formula
- C11H15NO4
- Molecular weight
- 225.24
Names & synonyms
methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate49ARC1V0F13-Hydroxy-alpha-methyl-L-tyrosine methyl esterCARBIDOPA IMPURITY B [EP IMPURITY]CARBIDOPA IMPURITY B (EP IMPURITY)Alpha-methyl-melevodopaRefChem:555857.ALPHA.-METHYL-MELEVODOPA3-HYDROXY-ALPHA-METHYL-METHYL TYROSINATE3-HYDROXY-.ALPHA.-METHYL-METHYL TYROSINATE895-229-318181-08-3
Show more names
L-Methyldopa methyl esterα-Methyldopa Methyl Ester3-Hydroxy-α-methyl-L-tyrosine methyl esterα-Methyl-3-hydroxy-L-tyrosine methyl esterL-Tyrosine, 3-hydroxy-α-methyl-, methyl esterCarbidopa Impurity 2（Carbidopa EP Impurity B）Carbidopa EP Impurity B (α-Methyldopa Methyl Ester)α-Methyl-3,4-dihydroxy-L-phenylalanine methyl ester
alpha-Methyldopa methyl esterCarbidopa EP Impurity Ba-Methyldopa Methyl EsterMethyl (S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoatealpha-Methyl-3,4-dihydroxy-L-phenylalanine methyl esterBRN 2649505Methyl (2S)-2-Amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoate; 3-Hydroxy-a-methyl-L-tyrosine Methyl Ester; Alanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, methyl ester, L- (8CI); a-Methyldopa Methyl EsterL-3-(3,4-Dihydroxyphenyl)-2-methylalanine methyl ester
Database identifiers
- CAS
18181-08-3- PubChem CID
- 28934
- DTXSID
DTXSID90939476- UNII
- 49ARC1V0F1
- EC Number
- 895-229-3
- Nikkaji
- J55.186D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- storage temp.
- Refrigerator
- solubility
- DMSO, Methanol (Slightly)
- form
- Solid
- Boiling point
- 386.9 · 386.9±37.0 °C(Predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- Melting point
- 165 · 165-166 °C
- pka
- 9.82 · 9.82±0.10(Predicted)
- color
- Yellow to Very Dark Brown
- InChI
- InChI=1/C11H15NO4/c1-11(12,10(15)16-2)6-7-3-4-8(13)9(14)5-7/h3-5,13-14H,6,12H2,1-2H3/t11-/s3
- InChIKey
- MKFJJXIMFTXSEM-LBPXTSNRNA-N
- SMILES
- C(OC)(=O)[C@](N)(C)CC1=CC=C(O)C(O)=C1 |&1:4,r|
- FDA UNII
- 49 ARC1V0F1 · 49ARC1V0F1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Usesα-Methyldopa Methyl Ester is an impurity in the synthesis of L-α-Methyl DOPA Methyl Ester Hydrochloride which is a Methyldopa angiotensin II analog.
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Related reactions
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Compound notes
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