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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H19N4O3
Molecular Weight 363.3899
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of SEPANTRONIUM

SMILES

COCC[N+]1=C(C)N(CC2=NC=CN=C2)C3=C1C(=O)C4=CC=CC=C4C3=O

InChI

InChIKey=OTSOOHRUMBRSHZ-UHFFFAOYSA-N
InChI=1S/C20H19N4O3/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25/h3-8,11H,9-10,12H2,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula C20H19N4O3
Molecular Weight 363.3899
Charge 1
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 05:11:21 UTC 2023
Edited
by admin
on Sat Dec 16 05:11:21 UTC 2023
Record UNII
UZ77T1VFBM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SEPANTRONIUM
USAN   WHO-DD  
USAN  
Official Name English
Sepantronium [WHO-DD]
Common Name English
SEPANTRONIUM [USAN]
Common Name English
SEPANTRONIUM CATION
Common Name English
SEPANTRONIUM ION
Common Name English
1H-NAPHTH(2,3-D)IMIDAZOLIUM, 4,9-DIHYDRO-1-(2-METHOXYETHYL)-2-METHYL-4,9-DIOXO-3-(2-PYRAZINYLMETHYL)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C2189
Created by admin on Sat Dec 16 05:11:21 UTC 2023 , Edited by admin on Sat Dec 16 05:11:21 UTC 2023
Code System Code Type Description
CAS
753440-91-4
Created by admin on Sat Dec 16 05:11:21 UTC 2023 , Edited by admin on Sat Dec 16 05:11:21 UTC 2023
PRIMARY
PUBCHEM
10126189
Created by admin on Sat Dec 16 05:11:21 UTC 2023 , Edited by admin on Sat Dec 16 05:11:21 UTC 2023
PRIMARY
FDA UNII
UZ77T1VFBM
Created by admin on Sat Dec 16 05:11:21 UTC 2023 , Edited by admin on Sat Dec 16 05:11:21 UTC 2023
PRIMARY
SMS_ID
100000177692
Created by admin on Sat Dec 16 05:11:21 UTC 2023 , Edited by admin on Sat Dec 16 05:11:21 UTC 2023
PRIMARY
NCI_THESAURUS
C152335
Created by admin on Sat Dec 16 05:11:21 UTC 2023 , Edited by admin on Sat Dec 16 05:11:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID70226316
Created by admin on Sat Dec 16 05:11:21 UTC 2023 , Edited by admin on Sat Dec 16 05:11:21 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY