Basic information
- CAS
157023-81-9- Standard SMILES
CC[N+]([O-])(CC)CCn1ncc2c(c1=O)S(=O)(=O)c1ccccc1N2.Cl- InChIKey
HJNNWSRINTUVIJ-UHFFFAOYSA-N- Molecular formula
- C16H21ClN4O4S
- Average molar mass
- 400.9 g/mol
- Monoisotopic mass
- 400.097204
Names & identifiers
- Preferred 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)
- IUPAC
- N,N-diethyl-2-(4,5,5-trioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-3-yl)ethanamine oxide;hydrochloride
Names & synonyms
157023-81-93H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 3-(2-(diethylamino)ethyl)-, N,5,5-trioxide,hydrochloride, hydrate (2:2:1)DTXSID80166198RefChem:283285DTXCID9088689N,N-Diethyl-2-(4,5,5-trioxo-5,10-dihydro-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazin-3(4H)-yl)ethan-1-amine N-oxide--hydrogen chloride (1/1)
Database identifiers
- CAS
157023-81-9- PubChem CID
- 3074396
- DTXSID
DTXSID80166198
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 706
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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