3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 3-(2-(diethylamino)ethyl)-, N,5,5-trioxide,hydrochloride, hydrate (2:2:1)

Base Information

• Chemical Name: 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 3-(2-(diethylamino)ethyl)-, N,5,5-trioxide,hydrochloride, hydrate (2:2:1)
• CAS No.: 157023-81-9
• Molecular Formula: C16H20 N4 O4 S . Cl H
• Molecular Weight: 400.8803
• DSSTox Substance ID: DTXSID80166198
• Mol file: 157023-81-9.mol

Synonyms:157023-81-9;3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 3-(2-(diethylamino)ethyl)-, N,5,5-trioxide,hydrochloride, hydrate (2:2:1);DTXSID80166198;C16H20N4O4S.ClH.1/2H2O;LS-129614;C16-H20-N4-O4-S.Cl-H.1/2H2-O

Chemical Property of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 3-(2-(diethylamino)ethyl)-, N,5,5-trioxide,hydrochloride, hydrate (2:2:1)

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 400.0972040
• Heavy Atom Count: 26
• Complexity: 706

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+](CC)(CCN1C(=O)C2=C(C=N1)NC3=CC=CC=C3S2(=O)=O)[O-].Cl