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Details

Stereochemistry EPIMERIC
Molecular Formula C18H19F3N4O6
Molecular Weight 444.3619
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MRX445-2

SMILES

OC(CCNC1=C(F)C(F)=C(C=C1F)N2C[C@H](CNC3=NOC=C3)OC2=O)CC(O)=O

InChI

InChIKey=VSEJQBIJJUMZPU-AXDSSHIGSA-N
InChI=1S/C18H19F3N4O6/c19-11-6-12(15(20)16(21)17(11)22-3-1-9(26)5-14(27)28)25-8-10(31-18(25)29)7-23-13-2-4-30-24-13/h2,4,6,9-10,22,26H,1,3,5,7-8H2,(H,23,24)(H,27,28)/t9?,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H19F3N4O6
Molecular Weight 444.3619
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:27:25 GMT 2025
Edited
by admin
on Wed Apr 02 05:27:25 GMT 2025
Record UNII
J5O639EKG8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTANOIC ACID, 3-HYDROXY-5-((2,3,6-TRIFLUORO-4-((5S)-5-((3-ISOXAZOLYLAMINO)METHYL)-2-OXO-3-OXAZOLIDINYL)PHENYL)AMINO)-
Preferred Name English
MRX445-2
Common Name English
Code System Code Type Description
PUBCHEM
146014913
Created by admin on Wed Apr 02 05:27:25 GMT 2025 , Edited by admin on Wed Apr 02 05:27:25 GMT 2025
PRIMARY
FDA UNII
J5O639EKG8
Created by admin on Wed Apr 02 05:27:25 GMT 2025 , Edited by admin on Wed Apr 02 05:27:25 GMT 2025
PRIMARY
CAS
1882089-73-7
Created by admin on Wed Apr 02 05:27:25 GMT 2025 , Edited by admin on Wed Apr 02 05:27:25 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; PLASMA; URINE