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L-Alpha-Methyl DOPA Hydrate

CAT: 0572-TRC-M303795-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M303795-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41372-08-1
Synonyms
Methyldopa Sesquihydrate; (2S)-2-Amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid sesquihydrate; l-methyldopa sesquihydrate, 3-hydroxy-α-methyl-L-Tyrosine hydrate (2:3); Carbidopa Imp. A (EP); Carbidopa Impurity A as Sesquihydrate
Hazard Statement
May cause harm to breast-fed children
Purity
>95% (HPLC)
Smiles
O.O.O.C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O.C[C@](N)(Cc2ccc(O)c(O)c2)C(=O)O
Molecular Formula
2 C10 H13 N O4 . 3 H2 O
Molecular Weight
476.47
InChI
InChI=1S/2C10H13NO4.3H2O/c2*1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;;;/h2*2-4,12-13H,5,11H2,1H3,(H,14,15);3*1H2/t2*10-;;;/m00.../s1
Additionnal Information
IUPAC name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;trihydrate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

L-Tyrosine, 3-hydroxy-alpha-methyl-, hydrate (2:3)
CAS Number41372-08-1
PubChem CID18530292
IUPAC Name(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;hydrate
Molecular FormulaC10H15NO5
Molecular Weight229.23
Topological Polar Surface Area105
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity246
SMILES
C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O
InChI
InChI=1S/C10H13NO4.H2O/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;/h2-4,12-13H,5,11H2,1H3,(H,14,15);1H2/t10-;/m0./s1
InChIKey
XDJUBZFLFDODNF-PPHPATTJSA-N
Chemical Structure
2D Structure
2D structure of L-Tyrosine, 3-hydroxy-alpha-methyl-, hydrate (2:3)
CAS: 41372-08-1
CID: 18530292
Formula: C10H15NO5
MW: 229.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight229.23
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass229.09502258
Monoisotopic Mass229.09502258
Topological Polar Surface Area105 Ų
Heavy Atom Count16
Formal Charge0
Complexity246
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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