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Etilevodopa hydrochloride

CAT: 1410-M27765-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Etilevodopa HCl is a prodrug of levodopa. It also has greater gastric solubility and significant brain penetration.
CAS Number
39740-30-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
261.7
Molecular Formula
C11H16ClNO4
Notes
Research use only, not for human use.
Receptor
NNOS/NOS1 AP

Chemical Information

ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate hydrochloride
CAS Number39740-30-2
PubChem CID12485237
IUPAC Nameethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate;hydrochloride
Molecular FormulaC11H16ClNO4
Molecular Weight261.70
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity234
SMILES
CCOC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N.Cl
InChI
InChI=1S/C11H15NO4.ClH/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7;/h3-4,6,8,13-14H,2,5,12H2,1H3;1H/t8-;/m0./s1
InChIKey
CVQFXVIIFKVRCK-QRPNPIFTSA-N
Chemical Structure
2D Structure
2D structure of ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate hydrochloride
CAS: 39740-30-2
CID: 12485237
Formula: C11H16ClNO4
MW: 261.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.70
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass261.0767857
Monoisotopic Mass261.0767857
Topological Polar Surface Area92.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity234
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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