Basic information
- CAS
107634-87-7- Standard SMILES
CCS(=O)(=O)[O-].OC1(c2ccc(Cl)cc2)N=CN[n+]2ccc3ccccc3c21- InChIKey
SHXJBCWOVPAZQL-UHFFFAOYSA-M- Molecular formula
- C19H18ClN3O4S
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.0706549
Names & identifiers
- Preferred name
- 4H-(1,2,4)Triazino(6,1-a)isoquinolin-5-ium, 1-(4-chlorophenyl)-1-hydro-1-hydroxy-, ethanesulfonate (1:1)
- IUPAC
- 1-(4-chlorophenyl)-4H-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-1-ol;ethanesulfonate
- English name
- Trazium
- Molecular formula
- C19H18ClN3O4S
- Molecular weight
- 0
Names & synonyms
Trazium Esilate97110-59-3Esilato de trazioEsilate de traziumTrazii esilas1PO9LWW5INDTXSID709103844H-(1,2,4)TRIAZINO(6,1-A)ISOQUINOLIN-5-IUM, 1-(4-CHLOROPHENYL)-1-HYDRO-1-HYDROXY-, ETHANESULFONATE (1:1)RefChem:1071750DTXCID701339431Trazium esilate [INN]1-(4-chlorophenyl)-1-hydroxy-1,4-dihydro[1,2,4]triazino[6,1-a]isoquinolin-5-ium ethanesulfonate
Show more names
Trazium1-(4-chlorophenyl)-4H-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-1-ol
Trazinum esilate1-(4-chlorophenyl)-4H-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-1-ol;ethanesulfonate1-(4-Chlorophenyl)-1,2,7a,8,9,10,11,11a-octahydro-1-hydroxy-(1,2,4)triazino(6,1-a)isoquinolin-5-iumTrazii esilas [Latin]Egyt 3615Egyt-3615Esilate de trazium [French]Esilato de trazio [Spanish]
Database identifiers
- CAS
107634-87-7、97110-59-3- PubChem CID
- 72166
- DTXSID
DTXSID70910384- ChEMBL
CHEMBL2107649- UNII
- 1PO9LWW5IN
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- FDA UNII
- 1 PO9LWW5IN · 1PO9LWW5IN
Chemistry & industry
Applications
UsesTrazium esilate (EGYT-3615) is an antidepressant, which influences the central dopaminergic system. Trazium esilate synergizes amphetamine, potentiates stereotypy and hypermotility. Trazium esilate blocks Apomorphine (HY-12723)-induced hypothermic and the stereotypy, and Bulbocapnine (HY-W436270)-induced cataleptic state. Trazium esilate enhances the effect of Norepinephrine (HY-13715) on isolated vas deferens of the rat[1][2].
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…