2,11-Dihydroxytrimipramine
Basic information
- CAS
158798-76-6- Standard SMILES
CC(CN(C)C)CN1c2ccccc2CC(O)c2cc(O)ccc21- InChIKey
HPSQNATYIDAHCR-UHFFFAOYSA-N- Molecular formula
- C20H26N2O2
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.19942808
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,11-Dihydroxytrimipramine
- IUPAC
- 11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepine-3,5-diol
- English name
- 2,11-dihydroxytrimipramine
- Molecular formula
- C20H26N2O2
- Molecular weight
- 326.43
Names & synonyms
2,11-Dihydroxytrimipramine2,11-Dihydroxy-tmp158798-76-6RefChem:805095-[3-(dimethylamino)-2-methylpropyl]-10,11-dihydro-5h-dibenzo[b,f]azepine-2,11-diolDTXSID909359985H-Dibenz[b,f]azepine-2,11-diol, 5-[3-(dimethylamino)-2-methylpropyl]-10,11-dihydro-
Database identifiers
- CAS
158798-76-6- PubChem CID
- 190932
- DTXSID
DTXSID90935998- Nikkaji
- J557.455B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Trimipramine
Physicochemical properties
- Boiling point
- 497.2 · 497.2±45.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- pka
- 10.05 · 10.05±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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