U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H16N2O6
Molecular Weight 368.3401
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7,8-BIS(((METHYLAMINO)CARBONYL)OXY)-2-PHENYL-4H-1-BENZOPYRAN-4-ONE

SMILES

CNC(=O)OC1=CC=C2C(=O)C=C(OC2=C1OC(=O)NC)C3=CC=CC=C3

InChI

InChIKey=NWWRHMSYZTWUBD-UHFFFAOYSA-N
InChI=1S/C19H16N2O6/c1-20-18(23)26-14-9-8-12-13(22)10-15(11-6-4-3-5-7-11)25-16(12)17(14)27-19(24)21-2/h3-10H,1-2H3,(H,20,23)(H,21,24)

HIDE SMILES / InChI

Molecular Formula C19H16N2O6
Molecular Weight 368.3401
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
10.0 µM [Ki]
320.0 nM [Kd]
Substance Class Chemical
Record UNII
OGG19T0LU2
Record Status Validated (UNII)
Record Version