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Details

Stereochemistry ACHIRAL
Molecular Formula C18H16ClNO6
Molecular Weight 377.7764
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCOC(=O)c1c(-c2ccccc2Cl)c(c(C)nc1C(=O)O)C(=O)OC

InChI

InChIKey=FBZSUKDHLQZTLQ-UHFFFAOYSA-N
InChI=1S/C18H16ClNO6/c1-4-26-18(24)14-13(10-7-5-6-8-11(10)19)12(17(23)25-3)9(2)20-15(14)16(21)22/h5-8H,4H2,1-3H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C18H16ClNO6
Molecular Weight 377.7764
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 Sat Jun 26 13:43:45 UTC 2021
Edited
by admin
on Sat Jun 26 13:43:45 UTC 2021
Record UNII
LUP412LU1R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,5-PYRIDINETRICARBOXYLIC ACID, 4-(2-CHLOROPHENYL)-6-METHYL-, 3-ETHYL 5-METHYL ESTER
Common Name English
Code System Code Type Description
CAS
113994-44-8
Created by admin on Sat Jun 26 13:43:45 UTC 2021 , Edited by admin on Sat Jun 26 13:43:45 UTC 2021
PRIMARY
PUBCHEM
14271903
Created by admin on Sat Jun 26 13:43:45 UTC 2021 , Edited by admin on Sat Jun 26 13:43:45 UTC 2021
PRIMARY
EPA CompTox
113994-44-8
Created by admin on Sat Jun 26 13:43:45 UTC 2021 , Edited by admin on Sat Jun 26 13:43:45 UTC 2021
PRIMARY
FDA UNII
LUP412LU1R
Created by admin on Sat Jun 26 13:43:45 UTC 2021 , Edited by admin on Sat Jun 26 13:43:45 UTC 2021
PRIMARY
Related Record Type Details
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