Tizanox
Basic information
- CAS
147687-38-5- Standard SMILES
O=C(C1CCCCC1)N1CC2c3ccccc3CCN2S(=O)(=O)C1- InChIKey
YBCHDBKDRBCGTF-UHFFFAOYSA-N- Molecular formula
- C18H24N2O3S
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.15076381
Overview
Russian drug
Names & identifiers
- Preferred name
- Tizanox
- IUPAC
- cyclohexyl-(4,4-dioxo-3,6,7,11b-tetrahydro-1H-[1,2,5]thiadiazino[3,2-a]isoquinolin-2-yl)methanone
- English name
- tizanox
- Molecular formula
- C18H24N2O3S
- Molecular weight
- 348.46
Names & synonyms
TizanoxThysanox147687-38-52-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-2H-1,2,5-thiadiazino(3,2-a)isoquinoline-4,4-dioxideRefChem:190187G-1587DTXSID20933184(1,2,5)Thiadiazino(3,2-a)isoquinoline, 1,2,3,6,7,11b-hexahydro-2-(cyclohexylcarbonyl)-, 4,4-dioxide(1,2,5)Thiadiazino(3,2-a)isoquinoline, 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-, 4,4-dioxide2-(Cyclohexanecarbonyl)-1,2,3,6,7,11b-hexahydro-4H-4lambda~6~-[1,2,5]thiadiazino[3,2-a]isoquinoline-4,4-dioneMethanone, cyclohexyl(1,6,7,11b-tetrahydro-4,4-dioxido[1,2,5]thiadiazino[3,2-a]isoquinolin-2(3H)-yl)-
Database identifiers
- CAS
147687-38-5- PubChem CID
- 3035809
- DTXSID
DTXSID20933184
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Boiling point
- 564.7 · 564.7±60.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- -1.22 · -1.22±0.20(Predicted)
Chemistry & industry
Applications
DescriptionTizanox is an anthelminthic.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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