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Details

Stereochemistry ACHIRAL
Molecular Formula C19H18ClNO8
Molecular Weight 423.801
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((CARBOXYMETHOXY)METHYL)-4-(2-CHLOROPHENYL)-6-(HYDROXYMETHYL)-3,5-PYRIDINEDICARBOXYLIC ACID, 3-ETHYL ESTER

SMILES

CCOC(=O)C1=C(COCC(O)=O)N=C(CO)C(C(O)=O)=C1C2=C(Cl)C=CC=C2

InChI

InChIKey=ALXNGKAENALCFQ-UHFFFAOYSA-N
InChI=1S/C19H18ClNO8/c1-2-29-19(27)17-13(8-28-9-14(23)24)21-12(7-22)16(18(25)26)15(17)10-5-3-4-6-11(10)20/h3-6,22H,2,7-9H2,1H3,(H,23,24)(H,25,26)

HIDE SMILES / InChI

Molecular Formula C19H18ClNO8
Molecular Weight 423.801
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 17:49:14 GMT 2023
Edited
by admin
on Fri Dec 15 17:49:14 GMT 2023
Record UNII
I3MF9YO0BS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((CARBOXYMETHOXY)METHYL)-4-(2-CHLOROPHENYL)-6-(HYDROXYMETHYL)-3,5-PYRIDINEDICARBOXYLIC ACID, 3-ETHYL ESTER
Common Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 2-((CARBOXYMETHOXY)METHYL)-4-(2-CHLOROPHENYL)-6-(HYDROXYMETHYL)-, 3-ETHYL ESTER
Common Name English
Code System Code Type Description
CAS
113994-47-1
Created by admin on Fri Dec 15 17:49:14 GMT 2023 , Edited by admin on Fri Dec 15 17:49:14 GMT 2023
PRIMARY
PUBCHEM
14271901
Created by admin on Fri Dec 15 17:49:14 GMT 2023 , Edited by admin on Fri Dec 15 17:49:14 GMT 2023
PRIMARY
FDA UNII
I3MF9YO0BS
Created by admin on Fri Dec 15 17:49:14 GMT 2023 , Edited by admin on Fri Dec 15 17:49:14 GMT 2023
PRIMARY