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Substance Name: Levodopa isopropyl ester
RN: 110301-07-0
InChIKey: QALMBBJHULTYQU-VIFPVBQESA-N

Molecular Formula

  • C12-H17-N-O4

Molecular Weight

  • 239.269
 
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Names and Synonyms

Name of Substance

  • Levodopa isopropyl ester

Systematic Name

  • L-Tyrosine, 3-hydroxy-, 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 110301-07-0

System Generated Number

  • 0110301070

Structure Descriptors

InChI

1S/C12H17NO4/c1-7(2)17-12(16)9(13)5-8-3-4-10(14)11(15)6-8/h3-4,6-7,9,14-15H,5,13H2,1-2H3/t9-/m0/s1

InChIKey

QALMBBJHULTYQU-VIFPVBQESA-N

Smiles

c1(cc(C[C@@H](C(OC(C)C)=O)N)ccc1O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.57 (none)   EXP
Water Solubility 3.42E+05 mg/L 25 EST
Vapor Pressure 2.23E-07 mm Hg 25 EST
Henry's Law Constant 7.36E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.98E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.