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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H30N4O7
Molecular Weight 498.5283
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of COMPOUND 3B (DERIVATIVE OF THE MARINE SPONGE EXTRACT LEUCETTINE L41)

SMILES

NCCOCCOCCOCCOC1=CC=C(NC2=N\C(=C/C3=CC4=C(OCO4)C=C3)C(=O)N2)C=C1

InChI

InChIKey=ZBYBDKHFLSHGBP-QNGOZBTKSA-N
InChI=1S/C25H30N4O7/c26-7-8-31-9-10-32-11-12-33-13-14-34-20-4-2-19(3-5-20)27-25-28-21(24(30)29-25)15-18-1-6-22-23(16-18)36-17-35-22/h1-6,15-16H,7-14,17,26H2,(H2,27,28,29,30)/b21-15-

HIDE SMILES / InChI

Molecular Formula C25H30N4O7
Molecular Weight 498.5283
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:57:10 UTC 2023
Edited
by admin
on Sat Dec 16 11:57:10 UTC 2023
Record UNII
HQV4NK9UCS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COMPOUND 3B (DERIVATIVE OF THE MARINE SPONGE EXTRACT LEUCETTINE L41)
Common Name English
4H-IMIDAZOL-4-ONE, 2-((4-(2-(2-(2-(2-AMINOETHOXY)ETHOXY)ETHOXY)ETHOXY)PHENYL)AMINO)-5-(1,3-BENZODIOXOL-5-YLMETHYLENE)-3,5-DIHYDRO-, (5Z)-
Systematic Name English
(5Z)-2-(4-(2-(2-(2-(2-AMINOETHOXY)ETHOXY)ETHOXY)ETHOXY)ANILINE)-5-(1,3-BENZODIOXOL-5-YLMETHYLIDENE)-1H-IMIDAZOL-4-ONE
Common Name English
Code System Code Type Description
FDA UNII
HQV4NK9UCS
Created by admin on Sat Dec 16 11:57:10 UTC 2023 , Edited by admin on Sat Dec 16 11:57:10 UTC 2023
PRIMARY
IUPHAR
8127
Created by admin on Sat Dec 16 11:57:10 UTC 2023 , Edited by admin on Sat Dec 16 11:57:10 UTC 2023
PRIMARY
PUBCHEM
136234578
Created by admin on Sat Dec 16 11:57:10 UTC 2023 , Edited by admin on Sat Dec 16 11:57:10 UTC 2023
PRIMARY
CAS
1430324-81-4
Created by admin on Sat Dec 16 11:57:10 UTC 2023 , Edited by admin on Sat Dec 16 11:57:10 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR