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Details

Stereochemistry RACEMIC
Molecular Formula C25H27N3O6
Molecular Weight 465.4984
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLIC ACID, 3-(2-(METHYL(PHENYLMETHYL)AMINO)ETHYL) ESTER

SMILES

CN(CCOC(=O)C1=C(C)NC(C)=C(C1C2=CC=CC(=C2)[N+]([O-])=O)C(O)=O)CC3=CC=CC=C3

InChI

InChIKey=XBADMAQQRVIREB-UHFFFAOYSA-N
InChI=1S/C25H27N3O6/c1-16-21(24(29)30)23(19-10-7-11-20(14-19)28(32)33)22(17(2)26-16)25(31)34-13-12-27(3)15-18-8-5-4-6-9-18/h4-11,14,23,26H,12-13,15H2,1-3H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula C25H27N3O6
Molecular Weight 465.4984
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:24:02 GMT 2025
Edited
by admin
on Mon Mar 31 18:24:02 GMT 2025
Record UNII
9X34J8MY5T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLIC ACID, 3-(2-(METHYL(PHENYLMETHYL)AMINO)ETHYL) ESTER
Common Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-(2-(METHYL(PHENYLMETHYL)AMINO)ETHYL) ESTER
Preferred Name English
Code System Code Type Description
CAS
123973-71-7
Created by admin on Mon Mar 31 18:24:02 GMT 2025 , Edited by admin on Mon Mar 31 18:24:02 GMT 2025
PRIMARY
PUBCHEM
14349227
Created by admin on Mon Mar 31 18:24:02 GMT 2025 , Edited by admin on Mon Mar 31 18:24:02 GMT 2025
PRIMARY
FDA UNII
9X34J8MY5T
Created by admin on Mon Mar 31 18:24:02 GMT 2025 , Edited by admin on Mon Mar 31 18:24:02 GMT 2025
PRIMARY