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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H19FINO2
Molecular Weight 415.2411
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 25I-NBF

SMILES

COC1=CC(CCNCC2=CC=CC=C2F)=C(OC)C=C1I

InChI

InChIKey=LPBKNBHMWRBPHT-UHFFFAOYSA-N
InChI=1S/C17H19FINO2/c1-21-16-10-15(19)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-14(13)18/h3-6,9-10,20H,7-8,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H19FINO2
Molecular Weight 415.2411
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
0.26 nM [Ki]

PubMed

Substance Class Chemical
Record UNII
MR8FRH5W3C
Record Status Validated (UNII)
Record Version