Basic information
- CAS
39638-52-3- Standard SMILES
CCCCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1- InChIKey
QDMOINLDXCZCEK-JTQLQIEISA-N- Molecular formula
- C13H19NO4
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.13140809
Names & identifiers
- Preferred name
- Levodopa butyl ester
- IUPAC
- butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
- English name
- levodopa butyl ester
- Molecular formula
- C13H19NO4
- Molecular weight
- 253.29
Names & synonyms
39638-52-3Levodopa butyl esterRefChem:153200L-DOPA n-Butyl Esterbutyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoateButyl 3-hydroxytyrosinateL-DOPA n-Butyl Ester Hydrochloride310434-11-8butyl 3-hydroxy-L-tyrosinateSCHEMBL8257343CHEMBL1823473DTXSID20960258
Show more names
L-DOPA Butyl EsterLevodopa Impurity 253-Hydroxy-L-tyrosine Butyl Ester
L-Tyrosine, 3-hydroxy-, butyl ester
Database identifiers
- CAS
39638-52-3- PubChem CID
- 83959
- DTXSID
DTXSID20960258- ChEMBL
CHEMBL1823473- Nikkaji
- J1.256.407D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
LogP1.19
Chemistry & industry
Applications
UsesActive component in Transdermal L-DOPA preparations.
Suppliers6 total
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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