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L-DOPA Methyl Ester Hydrochloride

CAT: 0572-TRC-D533770-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D533770-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1421-65-4
Synonyms
L-Tyrosine, 3-hydroxy-, methyl ester, hydrochloride (1:1); Alanine, 3-(3,4-dihydroxyphenyl)-, methyl ester, hydrochloride (6CI,7CI); Alanine, 3-(3,4-dihydroxyphenyl)-, methyl ester, hydrochloride, L- (8CI); L-Tyrosine, 3-hydroxy-, methyl ester, hydrochloride (9CI); 3,4-Dihydroxyphenyl-L-alanine methyl ester hydrochloride; L-DOPA Me ester hydrochloride; L-Dopa methyl ester hydrochloride; Levodopa methyl ester hydrochloride; Methyl L-3-(3,4-dihydroxyphenyl)alaninate hydrochloride; ST 41769
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
Cl.COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1
Molecular Formula
C10 H13 N O4 . Cl H
Molecular Weight
247.68
InChI
InChI=1S/C10H13NO4.ClH/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6;/h2-3,5,7,12-13H,4,11H2,1H3;1H/t7-;/m0./s1
Additionnal Information
IUPAC name: methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Melevodopa hydrochloride

Melevodopa hydrochloride is an organic molecular entity.

CAS Number1421-65-4
PubChem CID10131132
IUPAC Namemethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate;hydrochloride
Molecular FormulaC10H14ClNO4
Molecular Weight247.67
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity221
SMILES
COC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N.Cl
InChI
InChI=1S/C10H13NO4.ClH/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6;/h2-3,5,7,12-13H,4,11H2,1H3;1H/t7-;/m0./s1
InChIKey
WFGNJLMSYIJWII-FJXQXJEOSA-N
Chemical Structure
2D Structure
2D structure of Melevodopa hydrochloride
CAS: 1421-65-4
CID: 10131132
Formula: C10H14ClNO4
MW: 247.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.67
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass247.0611356
Monoisotopic Mass247.0611356
Topological Polar Surface Area92.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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