Basic information
- CAS
29541-85-3- Standard SMILES
CN(C)C(=O)COC1c2ccccc2CCc2ccccc21- InChIKey
VBEZUCAXMREMFB-UHFFFAOYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Names & identifiers
- Preferred name
- Oxitriptyline
- IUPAC
- N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)acetamide
- English name
- Oxitriptyline
- Molecular formula
- C19H21NO2
- Molecular weight
- 295.38
Names & synonyms
OxitriptylineOxitriptilinaOxitriptylinumOxitriptyline [INN]OssitriptilinaBS 7679Ossitriptilina [DCIT]Oxitriptylinum [INN-Latin]Oxitriptilina [INN-Spanish]UNII-5YGV817KFT5YGV817KFTBRN 2060344
Show more names
10,11-Dihydro-5-(dimethylcarbamoyl)methoxy-5H-dibenzo[a,d]cyclohepteneAcetamide, 2-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-N,N-dimethyl-
DTXSID6018372710,11-Dihydro-5-(dimethylcarbamoyl)methoxy-5H-dibenzo(a,d)cycloheptene2-((10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-N,N-dimethylacetamideOxitriptylinum (INN-Latin)5H-DIBENZO(a,d)CYCLOHEPTENE, 10,11-DIHYDRO-5-(DIMETHYLCARBAMOYL)METHOXY-Oxitriptilina (INN-Spanish)2-[(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-N,N-dimethylacetamideRefChem:168957
Database identifiers
- CAS
29541-85-3- PubChem CID
- 34624
- DTXSID
DTXSID60183727- ChEMBL
CHEMBL2104766- UNII
- 5YGV817KFT
- Nikkaji
- J19.583I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Boiling point
- 433.1 · 433.1±45.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- -0.83 · -0.83±0.70(Predicted)
- FDA UNII
- 5 YGV817KFT · 5YGV817KFT
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
1 records
Compound notes
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