Basic information
- CAS
37178-37-3- Standard SMILES
CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1- InChIKey
NULMGOSOSZBEQL-QMMMGPOBSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.10010796
Overview
Etilevodopa is a tyrosine derivative.
Names & identifiers
- Preferred name
- Etilevodopa
- IUPAC
- ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
- English name
- ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
- Molecular formula
- C11H15NO4
- Molecular weight
- 225.24
Names & synonyms
Etilevodopa37178-37-3L-Dopa ethyl esterethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoateO-Ethyl-DOPATV-1203895X917GYEDTXSID10905092etilevodopumRefChem:596832DTXCID601334195Levodopa ethyl ester
Show more names
L-Dopa-EtLevodopa Impurity 27L-Dopa ethyl ester >=98% (HPLC)3-Hydroxy-L-tyrosine ethyl ester3,4-Dihydroxy-L-phenylalanine ethyl ester
Ethyl (S)-2-amino-3-(3,4-dihydroxyphenyl)propanoateMFCD00871210L-Tyrosine, 3-hydroxy-, ethyl ester(-)-3,4-Dihydroxy-L-phenylalanine, ethyl esterethyl (2S)-2-amino-3-(34-dihydroxyphenyl)propanoate(S)-ETHYL 2-AMINO-3-(3,4-DIHYDROXYPHENYL)PROPANOATEEtilevodopa [USAN:INN]UNII-895X917GYE
Database identifiers
- CAS
37178-37-3- PubChem CID
- 170345
- DTXSID
DTXSID10905092- ChEMBL
CHEMBL1823681- ChEBI
CHEBI:135971
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP0.01
Physicochemical properties
- Boiling point
- 394.2 · 394.2±37.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: ≥12mg/mL at warmed to 60°C
- pka
- 9.67 · 9.67±0.20(Predicted)
- form
- powder
- color
- white to tan
- optical activity
- 15 to · [α]/D +15 to +19°, c =1 in methanol ([α]/D)
- Water Solubility
- 2 O: · H2O: ≥12mg/mL atwarmed to 60°C
- InChI
- 1S/C11H15NO4/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/t8-/m0/s1
- InChIKey
- NULMGOSOSZBEQL-QMMMGPOBSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Applications
UsesAntiparkisonian.
UsesL-Dopa ethyl ester has been used to study the protective effects of piperlongumine (PLG) on rotenone-induced Parkinson disease (PD).
Suppliers19 total
北京华美互利生物化工010-56205725 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
InvivoChem中国13549236410 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
6 records
Compound notes
Loading…