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Details

Stereochemistry EPIMERIC
Molecular Formula C17H25NO6.C4H6O6
Molecular Weight 489.4703
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLDOPA PIVALOYLOXYETHYL ESTER TARTRATE

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC(OC(=O)C(C)(C)C)OC(=O)[C@@](C)(N)CC1=CC=C(O)C(O)=C1

InChI

InChIKey=OGFNLVAQEVAQJA-NLFXEWHQSA-N
InChI=1S/C17H25NO6.C4H6O6/c1-10(23-14(21)16(2,3)4)24-15(22)17(5,18)9-11-6-7-12(19)13(20)8-11;5-1(3(7)8)2(6)4(9)10/h6-8,10,19-20H,9,18H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t10?,17-;1-,2-/m01/s1

HIDE SMILES / InChI

Molecular Formula C4H6O6
Molecular Weight 150.0868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C17H25NO6
Molecular Weight 339.3835
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 23:57:46 UTC 2023
Edited
by admin
on Thu Jul 06 23:57:46 UTC 2023
Record UNII
EAV4JT6SNK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYLDOPA PIVALOYLOXYETHYL ESTER TARTRATE
Common Name English
L-TYROSINE, 3-HYDROXY-.ALPHA.-METHYL-, 1-(2,2-DIMETHYL-1-OXOPROPOXY)ETHYL ESTER, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1) (SALT)
Systematic Name English
Code System Code Type Description
CAS
81972-28-3
Created by admin on Thu Jul 06 23:57:46 UTC 2023 , Edited by admin on Thu Jul 06 23:57:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID701002347
Created by admin on Thu Jul 06 23:57:46 UTC 2023 , Edited by admin on Thu Jul 06 23:57:46 UTC 2023
PRIMARY
PUBCHEM
14676436
Created by admin on Thu Jul 06 23:57:46 UTC 2023 , Edited by admin on Thu Jul 06 23:57:46 UTC 2023
PRIMARY
FDA UNII
EAV4JT6SNK
Created by admin on Thu Jul 06 23:57:46 UTC 2023 , Edited by admin on Thu Jul 06 23:57:46 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE