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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14ClNO5
Molecular Weight 335.739
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

COC(=O)C1=C(C2=C(Cl)C=CC=C2)C(C(O)=O)=C(CO)N=C1C

InChI

InChIKey=LVNJJYWFSCGLNZ-UHFFFAOYSA-N
InChI=1S/C16H14ClNO5/c1-8-12(16(22)23-2)13(9-5-3-4-6-10(9)17)14(15(20)21)11(7-19)18-8/h3-6,19H,7H2,1-2H3,(H,20,21)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-(2-CHLOROPHENYL)-2-(HYDROXYMETHYL)-6-METHYL-3,5-PYRIDINEDICARBOXYLIC ACID 5-METHYL ESTER
Systematic Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 4-(2-CHLOROPHENYL)-2-(HYDROXYMETHYL)-6-METHYL-, 5-METHYL ESTER
Preferred Name English
Code System Code Type Description
PUBCHEM
14271893
Created by admin on Mon Mar 31 19:30:18 GMT 2025 , Edited by admin on Mon Mar 31 19:30:18 GMT 2025
PRIMARY
FDA UNII
S5K9Z6C3HR
Created by admin on Mon Mar 31 19:30:18 GMT 2025 , Edited by admin on Mon Mar 31 19:30:18 GMT 2025
PRIMARY
CAS
113994-42-6
Created by admin on Mon Mar 31 19:30:18 GMT 2025 , Edited by admin on Mon Mar 31 19:30:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID30150623
Created by admin on Mon Mar 31 19:30:18 GMT 2025 , Edited by admin on Mon Mar 31 19:30:18 GMT 2025
PRIMARY
NIH
NCATS
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