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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H17F3N4O7
Molecular Weight 458.3454
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MRX459

SMILES

OC(=O)CCN(CC(O)=O)C1=C(F)C=C(N2C[C@H](CNC3=NOC=C3)OC2=O)C(F)=C1F

InChI

InChIKey=RDXYQPOHEAHCST-VIFPVBQESA-N
InChI=1S/C18H17F3N4O7/c19-10-5-11(25-7-9(32-18(25)30)6-22-12-2-4-31-23-12)15(20)16(21)17(10)24(8-14(28)29)3-1-13(26)27/h2,4-5,9H,1,3,6-8H2,(H,22,23)(H,26,27)(H,28,29)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H17F3N4O7
Molecular Weight 458.3454
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:30:05 GMT 2023
Edited
by admin
on Sat Dec 16 15:30:05 GMT 2023
Record UNII
BZQ13Q5S7Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MRX459
Common Name English
.BETA.-ALANINE, N-(CARBOXYMETHYL)-N-(2,3,6-TRIFLUORO-4-((5S)-5-((3-ISOXAZOLYLAMINO)METHYL)-2-OXO-3-OXAZOLIDINYL)PHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
BZQ13Q5S7Y
Created by admin on Sat Dec 16 15:30:05 GMT 2023 , Edited by admin on Sat Dec 16 15:30:05 GMT 2023
PRIMARY
PUBCHEM
146014905
Created by admin on Sat Dec 16 15:30:05 GMT 2023 , Edited by admin on Sat Dec 16 15:30:05 GMT 2023
PRIMARY
CAS
1879032-33-3
Created by admin on Sat Dec 16 15:30:05 GMT 2023 , Edited by admin on Sat Dec 16 15:30:05 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA; URINE
PARENT -> METABOLITE
FECAL