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

Details

Stereochemistry ACHIRAL
Molecular Formula C34H47NO4
Molecular Weight 533.7413
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CELIVARONE

SMILES

CCCCN(CCCC)CCCC1=CC=C(C=C1)C(=O)C2=C(CCCC)OC3=C2C=C(C=C3)C(=O)OC(C)C

InChI

InChIKey=ZCENNVQCOZQSGH-UHFFFAOYSA-N
InChI=1S/C34H47NO4/c1-6-9-14-31-32(29-24-28(19-20-30(29)39-31)34(37)38-25(4)5)33(36)27-17-15-26(16-18-27)13-12-23-35(21-10-7-2)22-11-8-3/h15-20,24-25H,6-14,21-23H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C34H47NO4
Molecular Weight 533.7413
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 Fri Dec 15 17:40:24 UTC 2023
Edited
by admin
on Fri Dec 15 17:40:24 UTC 2023
Record UNII
K45001587E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CELIVARONE
INN  
INN  
Official Name English
ISOPROPYL 2-BUTYL-3-(4-(3-(DIBUTYLAMINO)PROPYL)BENZOYL)-1-BENZOFURAN-5-CARBOXYLATE
Systematic Name English
celivarone [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C47793
Created by admin on Fri Dec 15 17:40:24 UTC 2023 , Edited by admin on Fri Dec 15 17:40:24 UTC 2023
Code System Code Type Description
INN
8637
Created by admin on Fri Dec 15 17:40:24 UTC 2023 , Edited by admin on Fri Dec 15 17:40:24 UTC 2023
PRIMARY
MESH
C499879
Created by admin on Fri Dec 15 17:40:24 UTC 2023 , Edited by admin on Fri Dec 15 17:40:24 UTC 2023
PRIMARY
FDA UNII
K45001587E
Created by admin on Fri Dec 15 17:40:24 UTC 2023 , Edited by admin on Fri Dec 15 17:40:24 UTC 2023
PRIMARY
PUBCHEM
9807128
Created by admin on Fri Dec 15 17:40:24 UTC 2023 , Edited by admin on Fri Dec 15 17:40:24 UTC 2023
PRIMARY
SMS_ID
100000127434
Created by admin on Fri Dec 15 17:40:24 UTC 2023 , Edited by admin on Fri Dec 15 17:40:24 UTC 2023
PRIMARY
EVMPD
SUB33454
Created by admin on Fri Dec 15 17:40:24 UTC 2023 , Edited by admin on Fri Dec 15 17:40:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID50960620
Created by admin on Fri Dec 15 17:40:24 UTC 2023 , Edited by admin on Fri Dec 15 17:40:24 UTC 2023
PRIMARY
CAS
401925-43-7
Created by admin on Fri Dec 15 17:40:24 UTC 2023 , Edited by admin on Fri Dec 15 17:40:24 UTC 2023
PRIMARY
NCI_THESAURUS
C81431
Created by admin on Fri Dec 15 17:40:24 UTC 2023 , Edited by admin on Fri Dec 15 17:40:24 UTC 2023
PRIMARY
ChEMBL
CHEMBL3707403
Created by admin on Fri Dec 15 17:40:24 UTC 2023 , Edited by admin on Fri Dec 15 17:40:24 UTC 2023
PRIMARY
WIKIPEDIA
CELIVARONE
Created by admin on Fri Dec 15 17:40:24 UTC 2023 , Edited by admin on Fri Dec 15 17:40:24 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY