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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18ClO4.Na
Molecular Weight 320.744
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETOMOXIR FREE ACID SODIUM

SMILES

[Na+].[O-]C(=O)[C@@]2(CCCCCCOC1=CC=C(Cl)C=C1)CO2

InChI

InChIKey=RPACBEVZENYWOL-XFULWGLBSA-M
InChI=1S/C15H19ClO4.Na/c16-12-5-7-13(8-6-12)19-10-4-2-1-3-9-15(11-20-15)14(17)18;/h5-8H,1-4,9-11H2,(H,17,18);/q;+1/p-1/t15-;/m1./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H18ClO4
Molecular Weight 297.754
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:10:42 GMT 2023
Edited
by admin
on Sat Dec 16 18:10:42 GMT 2023
Record UNII
Z6MN4UHR8S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETOMOXIR FREE ACID SODIUM
Common Name English
2-OXIRANECARBOXYLIC ACID, 2-(6-(4-CHLOROPHENOXY)HEXYL)-, SODIUM SALT (1:1), (2R)-
Systematic Name English
R-(+)-ETOMOXIR FREE ACID SODIUM
Common Name English
Code System Code Type Description
FDA UNII
Z6MN4UHR8S
Created by admin on Sat Dec 16 18:10:42 GMT 2023 , Edited by admin on Sat Dec 16 18:10:42 GMT 2023
PRIMARY
CAS
828934-41-4
Created by admin on Sat Dec 16 18:10:42 GMT 2023 , Edited by admin on Sat Dec 16 18:10:42 GMT 2023
PRIMARY
PUBCHEM
57345784
Created by admin on Sat Dec 16 18:10:42 GMT 2023 , Edited by admin on Sat Dec 16 18:10:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID40720952
Created by admin on Sat Dec 16 18:10:42 GMT 2023 , Edited by admin on Sat Dec 16 18:10:42 GMT 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE