Basic information
- CAS
110301-07-0- Standard SMILES
CC(C)OC(=O)[C@@H](N)Cc1ccc(O)c(O)c1- InChIKey
QALMBBJHULTYQU-VIFPVBQESA-N- Molecular formula
- C12H17NO4
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.11575802
Names & identifiers
- Preferred name
- Levodopa isopropyl ester
- IUPAC
- propan-2-yl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
- English name
- levodopa isopropyl ester
- Molecular formula
- C12H17NO4
- Molecular weight
- 239.27
Names & synonyms
110301-07-0Levodopa isopropyl esterDTXSID60149207RefChem:153201DTXCID3071698L-DOPA Isopropyl Esterpropan-2-yl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoateCHEMBL1823693Propan-2-yl 3-hydroxy-L-tyrosinateDISCONTINUED. Please see D433740DB-231708CS-0240140
Show more names
Levodopa Impurity 283-Hydroxy-L-tyrosine Isopropyl Ester3-Hydroxy-L-tyrosine 1-Methylethyl EsterL-DOPA Isopropyl Ester DISCONTINUED. Please see D433740
L-Tyrosine, 3-hydroxy-, 1-methylethyl esterEN300-225720propan-2-yl(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoateL-Tyrosine, 3-hydroxy-, 1-methylethyl ester; L-DOPA isopropyl ester
Database identifiers
- CAS
110301-07-0- PubChem CID
- 84018
- DTXSID
DTXSID60149207- ChEMBL
CHEMBL1823693- Nikkaji
- J1.556.755D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Experimental & physicochemical properties
LogP0.52
Physicochemical properties
- Boiling point
- 398 · 398.0±37.0 °C(Predicted)
- Density
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- pka
- 9.68 · 9.68±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesL-DOPA preparation meant for increased absorptivity when administered orally or rectally.
Suppliers16 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
上海昕博生物科技有限公司18016367361 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
济南思考化学有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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