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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14NO4.H4N
Molecular Weight 254.2823
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZANIUM,3,5-DIACETYL-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-4-CARBOXYLATE

SMILES

[NH4+].CC(=O)C1=C(C)NC(C)=C(C1C([O-])=O)C(C)=O

InChI

InChIKey=PVOWIXZJMMOEKY-UHFFFAOYSA-N
InChI=1S/C12H15NO4.H3N/c1-5-9(7(3)14)11(12(16)17)10(8(4)15)6(2)13-5;/h11,13H,1-4H3,(H,16,17);1H3

HIDE SMILES / InChI

Molecular Formula H3N
Molecular Weight 17.0305
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H15NO4
Molecular Weight 237.2518
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 Mon Mar 31 22:13:46 GMT 2025
Edited
by admin
on Mon Mar 31 22:13:46 GMT 2025
Record UNII
M3X2W99SLF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AV-154
Preferred Name English
AZANIUM,3,5-DIACETYL-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-4-CARBOXYLATE
Systematic Name English
4-PYRIDINECARBOXYLIC ACID, 3,5-DIACETYL-1,4-DIHYDRO-2,6-DIMETHYL-,
Common Name English
4-PYRIDINECARBOXYLIC ACID, 3,5-DIACETYL-1,4-DIHYDRO-2,6-DIMETHYL-, AMMONIUM SALT (1:1)
Common Name English
Code System Code Type Description
CAS
27296-03-3
Created by admin on Mon Mar 31 22:13:46 GMT 2025 , Edited by admin on Mon Mar 31 22:13:46 GMT 2025
PRIMARY
FDA UNII
M3X2W99SLF
Created by admin on Mon Mar 31 22:13:46 GMT 2025 , Edited by admin on Mon Mar 31 22:13:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID90181736
Created by admin on Mon Mar 31 22:13:46 GMT 2025 , Edited by admin on Mon Mar 31 22:13:46 GMT 2025
PRIMARY
PUBCHEM
168680
Created by admin on Mon Mar 31 22:13:46 GMT 2025 , Edited by admin on Mon Mar 31 22:13:46 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE