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

Details

Stereochemistry RACEMIC
Molecular Formula C30H31N3O3
Molecular Weight 481.5854
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOFEQUIDAR

SMILES

OC(COC1=C2C=CC=NC2=CC=C1)CN3CCN(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=KLWUUPVJTLHYIM-UHFFFAOYSA-N
InChI=1S/C30H31N3O3/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,25,29,34H,17-22H2

HIDE SMILES / InChI

Approval Year

Name Type Language
DOFEQUIDAR
INN   WHO-DD  
INN  
Official Name English
1-(DIPHENYLACETYL)-4-((2RS)-2-HYDROXY-3-(5-QUINOLYLOXY)PROPYL)PIPERAZINE
Systematic Name English
dofequidar [INN]
Common Name English
Dofequidar [WHO-DD]
Common Name English
1-(4-(2-HYDROXY-3-(5-QUINOLYLOXY)PROPYL)PIPERAZIN-1-YL)-2,2-DIPHENYLETHAN-1-ONE
Systematic Name English
1-PIPERAZINEETHANOL, 4-(DIPHENYLACETYL)-.ALPHA.-((5-QUINOLINYLOXY)METHYL)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1744
Created by admin on Fri Dec 15 17:24:43 UTC 2023 , Edited by admin on Fri Dec 15 17:24:43 UTC 2023
Code System Code Type Description
INN
8309
Created by admin on Fri Dec 15 17:24:43 UTC 2023 , Edited by admin on Fri Dec 15 17:24:43 UTC 2023
PRIMARY
PUBCHEM
213040
Created by admin on Fri Dec 15 17:24:43 UTC 2023 , Edited by admin on Fri Dec 15 17:24:43 UTC 2023
PRIMARY
ChEMBL
CHEMBL65067
Created by admin on Fri Dec 15 17:24:43 UTC 2023 , Edited by admin on Fri Dec 15 17:24:43 UTC 2023
PRIMARY
DRUG BANK
DB14067
Created by admin on Fri Dec 15 17:24:43 UTC 2023 , Edited by admin on Fri Dec 15 17:24:43 UTC 2023
PRIMARY
FDA UNII
0BJK6B565B
Created by admin on Fri Dec 15 17:24:43 UTC 2023 , Edited by admin on Fri Dec 15 17:24:43 UTC 2023
PRIMARY
SMS_ID
100000175034
Created by admin on Fri Dec 15 17:24:43 UTC 2023 , Edited by admin on Fri Dec 15 17:24:43 UTC 2023
PRIMARY
MESH
C087719
Created by admin on Fri Dec 15 17:24:43 UTC 2023 , Edited by admin on Fri Dec 15 17:24:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID10869781
Created by admin on Fri Dec 15 17:24:43 UTC 2023 , Edited by admin on Fri Dec 15 17:24:43 UTC 2023
PRIMARY
NCI_THESAURUS
C65458
Created by admin on Fri Dec 15 17:24:43 UTC 2023 , Edited by admin on Fri Dec 15 17:24:43 UTC 2023
PRIMARY
CAS
129716-58-1
Created by admin on Fri Dec 15 17:24:43 UTC 2023 , Edited by admin on Fri Dec 15 17:24:43 UTC 2023
PRIMARY