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Details

Stereochemistry RACEMIC
Molecular Formula C8H8INO4.C4H11NO2
Molecular Weight 414.1935
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DIOXO-3-IODO-6-METHYLTETRAHYDROPYRIDINE-1-ACETIC ACID DIETHANOLAMINE

SMILES

OCCNCCO.CC1=CC(=O)C(I)C(=O)N1CC(O)=O

InChI

InChIKey=MYOBWSYBDZCCMW-UHFFFAOYSA-N
InChI=1S/C8H8INO4.C4H11NO2/c1-4-2-5(11)7(9)8(14)10(4)3-6(12)13;6-3-1-5-2-4-7/h2,7H,3H2,1H3,(H,12,13);5-7H,1-4H2

HIDE SMILES / InChI

Molecular Formula C8H8INO4
Molecular Weight 309.0579
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C4H11NO2
Molecular Weight 105.1356
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:05:43 GMT 2023
Edited
by admin
on Fri Dec 15 15:05:43 GMT 2023
Record UNII
OCX142IFYZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-DIOXO-3-IODO-6-METHYLTETRAHYDROPYRIDINE-1-ACETIC ACID DIETHANOLAMINE
Systematic Name English
RAYOPAKE
Brand Name English
ETHANOL, 2,2'-IMINOBIS-, 3,4-DIHYDRO-3-IODO-6-METHYL-2,4-DIOXO-1(2H)-PYRIDINEACETATE (SALT)
Systematic Name English
2,4-DIOXO-3-IODO-6-METHYLTETRAHYDROPYRIDINE-1-ACETIC ACID DIETHANOLAMINE SALT
Common Name English
1(2H)-PYRIDINEACETIC ACID, 3,4-DIHYDRO-3-IODO-6-METHYL-2,4-DIOXO-, COMPD. WITH 2,2'-IMINOBIS(ETHANOL) (1:1)
Systematic Name English
1(2H)-PYRIDINEACETIC ACID, 3,4-DIHYDRO-3-IODO-6-METHYL-2,4-DIOXO-, COMPD. WITH 2,2'-IMINODIETHANOL (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
91663256
Created by admin on Fri Dec 15 15:05:43 GMT 2023 , Edited by admin on Fri Dec 15 15:05:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID40905808
Created by admin on Fri Dec 15 15:05:43 GMT 2023 , Edited by admin on Fri Dec 15 15:05:43 GMT 2023
PRIMARY
FDA UNII
OCX142IFYZ
Created by admin on Fri Dec 15 15:05:43 GMT 2023 , Edited by admin on Fri Dec 15 15:05:43 GMT 2023
PRIMARY
CAS
10085-77-5
Created by admin on Fri Dec 15 15:05:43 GMT 2023 , Edited by admin on Fri Dec 15 15:05:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE