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Details

Stereochemistry ACHIRAL
Molecular Formula C23H18FN7O2.C4H4O4
Molecular Weight 559.5053
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of LXE-408 FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CC1=NC(C)=C(O1)C(=O)NC2=CC=C(F)C(=C2)C3=NN4C=C(C=NC4=N3)C5=NC=CC=C5C

InChI

InChIKey=FABLYHJOBQZOPC-WLHGVMLRSA-N
InChI=1S/C23H18FN7O2.C4H4O4/c1-12-5-4-8-25-19(12)15-10-26-23-29-21(30-31(23)11-15)17-9-16(6-7-18(17)24)28-22(32)20-13(2)27-14(3)33-20;5-3(6)1-2-4(7)8/h4-11H,1-3H3,(H,28,32);1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C23H18FN7O2
Molecular Weight 443.4331
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 Dec 16 14:45:48 GMT 2023
Edited
by admin
on Sat Dec 16 14:45:48 GMT 2023
Record UNII
YRT1SM6RHB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LXE-408 FUMARATE
Code English
LXE408 FUMARATE
Code English
5-OXAZOLECARBOXAMIDE, N-(4-FLUORO-3-(6-(3-METHYL-2-PYRIDINYL)(1,2,4)TRIAZOLO(1,5-A)PYRIMIDIN-2-YL)PHENYL)-2,4-DIMETHYL-, FUMARATE
Systematic Name English
Code System Code Type Description
PUBCHEM
162623654
Created by admin on Sat Dec 16 14:45:48 GMT 2023 , Edited by admin on Sat Dec 16 14:45:48 GMT 2023
PRIMARY
FDA UNII
YRT1SM6RHB
Created by admin on Sat Dec 16 14:45:48 GMT 2023 , Edited by admin on Sat Dec 16 14:45:48 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY