4H-[1,2,4]Triazino[6,1-a]isoquinolin-5-ium, 1-(4-chlorophenyl)-1-hydro-1-hydroxy-, ethanesulfonate (1:1)
-
![4H-[1,2,4]Triazino[6,1-a]isoquinolin-5-ium, 1-(4-chlorophenyl)-1-hydro-1-hydroxy-, ethanesulfonate (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3af99d28b7ba4936baf84924967efc2b.png "4H-[1,2,4]Triazino[6,1-a]isoquinolin-5-ium, 1-(4-chlorophenyl)-1-hydro-1-hydroxy-, ethanesulfonate (1:1)")
4H-[1,2,4]Triazino[6,1-a]isoquinolin-5-ium, 1-(4-chlorophenyl)-1-hydro-1-hydroxy-, ethanesulfonate (1:1)
structure -
-
CAS No:
97110-59-3
-
Formula:
C17H13ClN3O.C2H5O3S
-
Chemical Name:
4H-[1,2,4]Triazino[6,1-a]isoquinolin-5-ium, 1-(4-chlorophenyl)-1-hydro-1-hydroxy-, ethanesulfonate (1:1)
-
Synonyms:
4H-[1,2,4]Triazino[6,1-a]isoquinolin-5-ium,1-(4-chlorophenyl)-1-hydro-1-hydroxy-,ethanesulfonate (1:1);[1,2,4]Triazino[6,1-a]isoquinolin-5-ium,1-(4-chlorophenyl)-1,2-dihydro-1-hydroxy-,ethanesulfonate (salt);Ethanesulfonic acid,ion(1-),1-(4-chlorophenyl)-1,2-dihydro-1-hydroxy[1,2,4]triazino[6,1-a]isoquinolin-5-ium;Trazium esilate;EGYT 3615;107634-87-7
-
CAS No:
4H-[1,2,4]Triazino[6,1-a]isoquinolin-5-ium, 1-(4-chlorophenyl)-1-hydro-1-hydroxy-, ethanesulfonate (1:1) Basic Attributes
419.9 g/mol
419.0706549 g/mol
Drug Information
1-(4-chlorophenyl)-1,2,7a,8,9,10,11,11a-octahydro-1-hydroxy-(1,2,4)triazino(6,1-a)isoquinolin-5-ium
Computed Properties
Molecular Weight:419.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:419.0706549
Monoisotopic Mass:419.0706549
Topological Polar Surface Area:114
Heavy Atom Count:28
Complexity:530
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Request for Quotation