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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H36FN3O2
Molecular Weight 477.6134
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SUN N8075 FREE BASE

SMILES

[H][C@@](O)(COC1=CC(C)=C(N)C(C)=C1C)CN2CCN(CC2)C3=CC=C(CC4=CC=C(F)C=C4)C=C3

InChI

InChIKey=BNGQNTZNOYCZSU-MHZLTWQESA-N
InChI=1S/C29H36FN3O2/c1-20-16-28(21(2)22(3)29(20)31)35-19-27(34)18-32-12-14-33(15-13-32)26-10-6-24(7-11-26)17-23-4-8-25(30)9-5-23/h4-11,16,27,34H,12-15,17-19,31H2,1-3H3/t27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H36FN3O2
Molecular Weight 477.6134
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 14:28:05 GMT 2023
Edited
by admin
on Sat Dec 16 14:28:05 GMT 2023
Record UNII
6X94HP0IIM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUN N8075 FREE BASE
Code English
(.ALPHA.S)-.ALPHA.-((4-AMINO-2,3,5-TRIMETHYLPHENOXY)METHYL)-4-(4-((4-FLUOROPHENYL)METHYL)PHENYL)-1-PIPERAZINEETHANOL
Systematic Name English
1-PIPERAZINEETHANOL, .ALPHA.-((4-AMINO-2,3,5-TRIMETHYLPHENOXY)METHYL)-4-(4-((4-FLUOROPHENYL)METHYL)PHENYL)-, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
CAS
224450-44-6
Created by admin on Sat Dec 16 14:28:05 GMT 2023 , Edited by admin on Sat Dec 16 14:28:05 GMT 2023
PRIMARY
FDA UNII
6X94HP0IIM
Created by admin on Sat Dec 16 14:28:05 GMT 2023 , Edited by admin on Sat Dec 16 14:28:05 GMT 2023
PRIMARY
PUBCHEM
9852814
Created by admin on Sat Dec 16 14:28:05 GMT 2023 , Edited by admin on Sat Dec 16 14:28:05 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT