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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H21N5O
Molecular Weight 407.4671
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZD-8731 FREE BASE

SMILES

CCC1=CC(OCC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4)=C5C=CC=CC5=N1

InChI

InChIKey=FSJCYXPMWQPVOS-UHFFFAOYSA-N
InChI=1S/C25H21N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-15H,2,16H2,1H3,(H,27,28,29,30)

HIDE SMILES / InChI

Molecular Formula C25H21N5O
Molecular Weight 407.4671
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 08:38:34 GMT 2023
Edited
by admin
on Sat Dec 16 08:38:34 GMT 2023
Record UNII
23B5RBZGBD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZD-8731 FREE BASE
Code English
2-ETHYL-4-((2'-(1H-1,2,3,4-TETRAZOL-5-YL)BIPHENYL-4-YL)METHOXY)QUINOLINE
Systematic Name English
ICI-D-8731 FREE BASE
Code English
2-ETHYL-4-((2'-(2H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHOXY)QUINOLINE
Systematic Name English
D-8731 FREE BASE
Code English
QUINOLINE, 2-ETHYL-4-((2'-(1H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHOXY)-
Systematic Name English
Code System Code Type Description
CAS
143494-72-8
Created by admin on Sat Dec 16 08:38:34 GMT 2023 , Edited by admin on Sat Dec 16 08:38:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID60931907
Created by admin on Sat Dec 16 08:38:34 GMT 2023 , Edited by admin on Sat Dec 16 08:38:34 GMT 2023
PRIMARY
PUBCHEM
132562
Created by admin on Sat Dec 16 08:38:34 GMT 2023 , Edited by admin on Sat Dec 16 08:38:34 GMT 2023
PRIMARY
FDA UNII
23B5RBZGBD
Created by admin on Sat Dec 16 08:38:34 GMT 2023 , Edited by admin on Sat Dec 16 08:38:34 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT