Trazium Esilate

Base Information

• Chemical Name: Trazium Esilate
• CAS No.: 97110-59-3
• Molecular Formula: C19H18ClN3O4S
• Molecular Weight: 0
• UNII: 1PO9LWW5IN
• DSSTox Substance ID: DTXSID70910384
• Wikipedia: Trazium
• Wikidata: Q7836500
• NCI Thesaurus Code: C72873
• ChEMBL ID: CHEMBL2107649
• Mol file: 97110-59-3.mol

Synonyms:1-(4-chlorophenyl)-1,2,7a,8,9,10,11,11a-octahydro-1-hydroxy-(1,2,4)triazino(6,1-a)isoquinolin-5-ium;EGYT 3615;EGYT-3615

Chemical Property of Trazium Esilate

Chemical Property:

• PSA: 114.08000
• LogP: 2.76540
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 419.0706549
• Heavy Atom Count: 28
• Complexity: 530

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)(=O)[O-].C1=CC=C2C(=C1)C=C[N+]3=C2C(N=CN3)(C4=CC=C(C=C4)Cl)O

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