U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C25H19F10NO4
Molecular Weight 587.4067
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-826141

SMILES

CC1=C(CC(C2=CC=C(C=C2)C(O)(C(F)(F)F)C(F)(F)F)C3=CC=C(OC(F)F)C(OC(F)F)=C3)C=C[N+]([O-])=C1

InChI

InChIKey=QJLFNDIEDQOREP-UHFFFAOYSA-N
InChI=1S/C25H19F10NO4/c1-13-12-36(38)9-8-15(13)10-18(16-4-7-19(39-21(26)27)20(11-16)40-22(28)29)14-2-5-17(6-3-14)23(37,24(30,31)32)25(33,34)35/h2-9,11-12,18,21-22,37H,10H2,1H3

HIDE SMILES / InChI

Molecular Formula C25H19F10NO4
Molecular Weight 587.4067
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

Patents

Substance Class Chemical
Record UNII
2JN104XMOK
Record Status Validated (UNII)
Record Version