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

Details

Stereochemistry ACHIRAL
Molecular Formula C31H35F2NO3
Molecular Weight 507.6113
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AHR-16303

SMILES

CC(C)C(=O)C1=CC=C(OCCCN2CCC(CC2)C(O)(C3=CC=C(F)C=C3)C4=CC=C(F)C=C4)C=C1

InChI

InChIKey=LHFTWCKXENCOHI-UHFFFAOYSA-N
InChI=1S/C31H35F2NO3/c1-22(2)30(35)23-4-14-29(15-5-23)37-21-3-18-34-19-16-26(17-20-34)31(36,24-6-10-27(32)11-7-24)25-8-12-28(33)13-9-25/h4-15,22,26,36H,3,16-21H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C31H35F2NO3
Molecular Weight 507.6113
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:03:35 GMT 2023
Edited
by admin
on Sat Dec 16 17:03:35 GMT 2023
Record UNII
PQB59TQ9EA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AHR-16303
Code English
1-(4-(3-(4-(BIS(4-FLUOROPHENYL)HYDROXYMETHYL)-1-PIPERIDINYL)PROPOXY)PHENYL)-2-METHYL-1-PROPANONE
Systematic Name English
1-PROPANONE, 1-(4-(3-(4-(BIS(4-FLUOROPHENYL)HYDROXYMETHYL)-1-PIPERIDINYL)PROPOXY)PHENYL)-2-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
183771
Created by admin on Sat Dec 16 17:03:35 GMT 2023 , Edited by admin on Sat Dec 16 17:03:35 GMT 2023
PRIMARY
CAS
117023-61-7
Created by admin on Sat Dec 16 17:03:35 GMT 2023 , Edited by admin on Sat Dec 16 17:03:35 GMT 2023
PRIMARY
FDA UNII
PQB59TQ9EA
Created by admin on Sat Dec 16 17:03:35 GMT 2023 , Edited by admin on Sat Dec 16 17:03:35 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT