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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H15F3N4O5
Molecular Weight 400.3093
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MRX401

SMILES

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

InChI

InChIKey=IUHWDYUWQQBKLP-QMMMGPOBSA-N
InChI=1S/C16H15F3N4O5/c17-9-5-10(13(18)14(19)15(9)20-3-1-12(24)25)23-7-8(28-16(23)26)6-21-11-2-4-27-22-11/h2,4-5,8,20H,1,3,6-7H2,(H,21,22)(H,24,25)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H15F3N4O5
Molecular Weight 400.3093
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 15:23:54 GMT 2023
Edited
by admin
on Sat Dec 16 15:23:54 GMT 2023
Record UNII
22D38G8TEN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MRX401
Common Name English
.BETA.-ALANINE, 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
22D38G8TEN
Created by admin on Sat Dec 16 15:23:54 GMT 2023 , Edited by admin on Sat Dec 16 15:23:54 GMT 2023
PRIMARY
PUBCHEM
146014898
Created by admin on Sat Dec 16 15:23:54 GMT 2023 , Edited by admin on Sat Dec 16 15:23:54 GMT 2023
PRIMARY
CAS
1879031-42-1
Created by admin on Sat Dec 16 15:23:54 GMT 2023 , Edited by admin on Sat Dec 16 15:23:54 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; PLASMA; URINE