Trithiozine
Basic information
- CAS
35619-65-9- Standard SMILES
COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC- InChIKey
MVOUIYUWRXPNKD-UHFFFAOYSA-N- Molecular formula
- C14H19NO4S
- Average molar mass
- 297.37 g/mol
- Monoisotopic mass
- 297.10347926
Overview
Tritiozine is a member of methoxybenzenes.
Names & identifiers
- Preferred name
- Trithiozine
- IUPAC
- morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethione
- English name
- Tritiozine
- Molecular formula
- C14H19NO4S
- Molecular weight
- 297.37
Names & synonyms
Trithiozine4-(Thioxo(3,4,5-trimethoxyphenyl)methyl)morpholine4-(3,4,5-Trimethoxythiobenzoyl)tetrahydro-1,4-oxazineRefChem:933546Tritiozine35619-65-9TresanilSulmetozineTritiozinaTritiozine [INN]4-(3,4,5-Trimethoxythiobenzoyl)morpholineISF 2001
Show more names
ISF-2001TritiozinumTritiozine USP/EP/BPmorpholino-(3,4,5-trimethoxyphenyl)methanethione
morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethioneDTXSID0046195morpholino(3,4,5-trimethoxyphenyl)methanethione93VJ1QVD6VMorpholine, 4-(3,4,5-trimethoxythiobenzoyl)-Sulmetozine; Tresanil; TrithiozineNCGC00160503-01Tritiozina [Italian]
Database identifiers
- CAS
35619-65-9- PubChem CID
- 65790
- DTXSID
DTXSID0046195- ChEMBL
CHEMBL1414826- ChEBI
CHEBI:135255- UNII
- 93VJ1QVD6V
- EC Number
- 252-645-4
- Nikkaji
- J19.685A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
Solubility>44.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 141 · 141-143°
- Boiling point
- 420.8 · 420.8±55.0 °C(Predicted)
- Density
- 1.2461 · 1.2461 (rough estimate)
- refractive index
- 1.75 · 1.7500 (estimate)
- pka
- 0.88 · 0.88±0.20(Predicted)
- form
- Solid
- color
- Off-white to light yellow
- FDA UNII
- 93 VJ1QVD6V · 93VJ1QVD6V
- Toxicity
- 50 i.p · LD50 i.p. in mice: 2000 mg/kg (Pifferi, 1973)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 i.p. in mice: 2000 mg/kg (Pifferi, 1973)
Chemistry & industry
Applications
UsesTrithiozine is an orally active antisecretory and antiulcer agent. Trithiozine can be used for the research of peptic ulcer disease and hypersecretory disorders[1].
Additional notes
DefinitionChEBI: Tritiozine is a member of methoxybenzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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