Trimetozine
Basic information
- CAS
635-41-6- Standard SMILES
COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC- InChIKey
XWVOEFLBOSSYGM-UHFFFAOYSA-N- Molecular formula
- C14H19NO5
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.12632271
Overview
4-morpholinyl-(3,4,5-trimethoxyphenyl)methanone is a member of morpholines.
Names & identifiers
- Preferred name
- Trimetozine
- IUPAC
- morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone
- English name
- trimetozine
- Molecular formula
- C14H19NO5
- Molecular weight
- 281.3
Names & synonyms
TRIMETOZINE635-41-6Trioxazine4-(3,4,5-Trimethoxybenzoyl)morpholineAbbott-22370TrimetozinaNSC-62939PS 2383Morpholine, 4-(3,4,5-trimethoxybenzoyl)-TrimetozinumPS-2383DTXSID8023713
Show more names
V 7p126EWI101TriMetozin
31EPT7G9PLDTXCID203713RefChem:899933211-236-0SedoxazineOpaleneTrimethoxazineTrioxazin
Database identifiers
- CAS
635-41-6- PubChem CID
- 12478
- DTXSID
DTXSID8023713- ChEMBL
CHEMBL1697853- ChEBI
CHEBI:92927- UNII
- 31EPT7G9PL
- EC Number
- 211-236-0
- Nikkaji
- J6.909D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
164.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
178.49 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 120 · 120-122°
- Boiling point
- 423.97 °C · 423.97°C (rough estimate)
- Density
- 1.1755 · 1.1755 (rough estimate)
- refractive index
- 1.523 · 1.5230 (estimate)
- pka
- -1.6 · -1.60±0.20(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 31 EPT7G9PL · 31EPT7G9PL
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- LD50 oral in rat: 1800mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Usesantiurolithic, depigmentation, radiation protectant
UsesA sedative with mild tranquilizing effects. It has been used therapeutically in the treatment of anxiety. It is also a metabolite of the antisecretory and antiulcer drug Trithiozine.
UsesA sedative with mild tranquilizing effects. Trimetozine has been used therapeutically in the treatment of anxiety. It is also a metabolite of the antisecretory and antiulcer drug Trithiozine.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 4-morpholinyl-(3,4,5-trimethoxyphenyl)methanone is a member of morpholines.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…