Basic information
- CAS
24701-51-7- Standard SMILES
CNCCON=c1c2ccccc2ccc2ccccc12- InChIKey
SEDQWOMFMIJKCU-UHFFFAOYSA-N- Molecular formula
- C18H18N2O
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.1419132
Overview
Demexiptiline is a benzenoid aromatic compound.
Names & identifiers
- Preferred name
- Demexiptiline
- IUPAC
- N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxyethanamine
- English name
- Demexiptiline
- Molecular formula
- C18H18N2O
- Molecular weight
- 278.35
Names & synonyms
Demexiptiline24701-51-7DemexiptilinaDemexiptilinumEYX738UZ5PDTXSID401794415H-dibenxo(a,d)cyclohepten-5-one O-(2-(methylamino)ethyl)oximeRefChem:131781DTXCID70101932methyl((2-(((tricyclo(9.4.0.03,?)pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene)amino)oxy)ethyl))amineDemexiptiline [INN]N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxyethanamine
Show more names
5H-Dibenzoa,dcyclohepten-5-one, O-2-(methylamino)ethyloxime
5H-Dibenzo(a,d)cyclohepten-5-one O-(2-(methylamino)ethyl)oximeUNII-EYX738UZ5PDemexiptilinum [INN-Latin]Demexiptilina [INN-Spanish]5H-Dibenzo[a,d]cyclohepten-5-one, O-[2-(methylamino)ethyl]oximeDEMEXIPTILINE [MI]SCHEMBL49733DEMEXIPTILINE [WHO-DD]
Database identifiers
- CAS
24701-51-7- PubChem CID
- 28876
- DTXSID
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Melting Point232-233
Physicochemical properties
- FDA UNII
- 738 UZ5P · EYX738UZ5P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information5H-Dibenzoa,dcyclohepten-5-one, O-2-(methylamino)ethyloxime: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Additional notes
DefinitionChEBI: Demexiptiline is a benzenoid aromatic compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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