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SD-1077

CAT: 0931-T34589-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T34589-01Size:100 mg
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CAS Number
713140-70-6
Bioactivity
SD-1077, also known as d3-L-DOPA, is a deuterium containing levodopa. SD-1077 has been shown in preclinical models to improve the half-life of dopamine in the brain resulting in a prolonged treatment effect.
Smiles
C([C@@](C(O)=O)(N)[2H])(C1=CC(O)=C(O)C=C1)([2H])[2H]
Molecular Formula
C9H11NO4
Molecular Weight
200.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Deuterium-substituted L-DOPA
CAS Number713140-70-6
PubChem CID76955701
IUPAC Name(2S)-2-amino-2,3,3-trideuterio-3-(3,4-dihydroxyphenyl)propanoic acid
Molecular FormulaC9H11NO4
Molecular Weight200.21
XLogP-2.7
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity209
SMILES
[2H][C@@](C(=O)O)(C([2H])([2H])C1=CC(=C(C=C1)O)O)N
InChI
InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i3D2,6D
InChIKey
WTDRDQBEARUVNC-QZRTVAIESA-N
Chemical Structure
2D Structure
2D structure of Deuterium-substituted L-DOPA
CAS: 713140-70-6
CID: 76955701
Formula: C9H11NO4
MW: 200.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.21
XLogP3-2.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass200.08763807
Monoisotopic Mass200.08763807
Topological Polar Surface Area104 Ų
Heavy Atom Count14
Formal Charge0
Complexity209
Isotope Atom Count3
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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