1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(3-(dimethylamino)propyl)-, N,5,5-trioxide, dihydrate
Basic information
- CAS
126598-47-8- Standard SMILES
CC(CCn1ncc2c(c1=O)Nc1ccccc1S2(=O)=O)N(C)O- InChIKey
XAJHKWJWONZRNB-UHFFFAOYSA-N- Molecular formula
- C15H18N4O4S
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.10487624
Names & identifiers
- Preferred name
- 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(3-(dimethylamino)propyl)-, N,5,5-trioxide, dihydrate
- IUPAC
- 2-[3-[hydroxy(methyl)amino]butyl]-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-1-one
Names & synonyms
126598-47-81H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(3-(dimethylamino)propyl)-, N,5,5-trioxide, dihydrateRefChem:240138DTXSID409256222-{3-[Hydroxy(methyl)amino]butyl}-2,3-dihydro-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazine-1,5,5-trione
Database identifiers
- CAS
126598-47-8- PubChem CID
- 3079883
- DTXSID
DTXSID40925622
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 682
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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