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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H27NO3
Molecular Weight 389.4868
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CDP-840 N-OXIDE

SMILES

COC1=CC=C(C=C1OC2CCCC2)[C@H](CC3=CC=[N+]([O-])C=C3)C4=CC=CC=C4

InChI

InChIKey=UIMCCHYTYRVHOV-HSZRJFAPSA-N
InChI=1S/C25H27NO3/c1-28-24-12-11-21(18-25(24)29-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26(27)16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CDP-840 N-OXIDE
Code English
CDP-840 METABOLITE M5
Common Name English
PYRIDINE, 4-((2R)-2-(3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL)-2-PHENYLETHYL)-, 1-OXIDE
Systematic Name English
Code System Code Type Description
CAS
339003-68-8
Created by admin on Sat Dec 16 17:37:45 GMT 2023 , Edited by admin on Sat Dec 16 17:37:45 GMT 2023
PRIMARY
FDA UNII
2DG4LMG5UL
Created by admin on Sat Dec 16 17:37:45 GMT 2023 , Edited by admin on Sat Dec 16 17:37:45 GMT 2023
PRIMARY
PUBCHEM
44282409
Created by admin on Sat Dec 16 17:37:45 GMT 2023 , Edited by admin on Sat Dec 16 17:37:45 GMT 2023
PRIMARY