Etilevodopa hydrochloride

CAT: 0127-BUP11162-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11162-01Size:10 mg

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CAS Number

39740-30-2

Synonyms

Levodopa ethyl ester, Etilevodopa HCl, L-DOPA ethyl ester

Purity

=95%

Smiles

Cl.CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1

Chemical Information

ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate hydrochloride

CAS Number	39740-30-2
PubChem CID	12485237
IUPAC Name	ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate;hydrochloride
Molecular Formula	C11H16ClNO4
Molecular Weight	261.70
Topological Polar Surface Area	92.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	234

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

CAS: 39740-30-2

CID: 12485237

Formula: C11H16ClNO4

MW: 261.70

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	261.70
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	261.0767857
Monoisotopic Mass	261.0767857
Topological Polar Surface Area	92.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	234
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
GTR19174929-01	Etilevodopa hydrochloride
HY-116016A-01	Etilevodopa (hydrochloride)
HY-116016AR-01	Etilevodopa (hydrochloride) (Standard)
T15255-01	Etilevodopa
527845	Etilevodopa HCl
HY-116016R	Etilevodopa (Standard)
300563	Ligustrazine Hydrochloride (Chuanxiongzine hydrochloride)
D3190-91G	Deoxynojirimycin Hydrochloride (DNJ Hydrochloride)
MBS6103001-01	O-Cyclopropylmethyl-hydroxylamine, Hydrochloride (Cyclopropylmethoxyamine, Hydrochloride, Cyclopropylmethoxylamine, Hydrochloride)
C7050-01	Cysteamine hydrochloride; 2-AminoeThanethiol Hydrochloride; 2-Aminoethane-1-Thiol Hydrochloride; Mercaptamine Hydrochloride