n-Desmethyltrimipramine
Basic information
- CAS
2293-21-2- Standard SMILES
CNCC(C)CN1c2ccccc2CCc2ccccc21- InChIKey
FUEUKSCRQNPXKS-UHFFFAOYSA-N- Molecular formula
- C19H24N2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.19394877
Overview
major metabolite of trimipramine; RN given refers to parent cpd
Names & identifiers
- Preferred name
- n-Desmethyltrimipramine
- IUPAC
- 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,2-dimethylpropan-1-amine
- English name
- N-DESMETHYLTRIMIPRAMINE,1.0MG/MLINMETHANOL
- Molecular formula
- C19H24N2
- Molecular weight
- 280.41
Names & synonyms
Desmethyltrimipramine2293-21-2N-DesmethyltrimipramineI453QU04O65H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,beta-dimethyl-RefChem:132259NortrimipramineN-Demethyl Trimipramine3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,2-dimethylpropan-1-amine3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,2-dimethylpropan-1-amineTrimipramine Maleate EP Impurity BN-DESMETHYLTRIMIPRAMINE,1.0MG/MLINMETHANOL
Show more names
Trimipramine EP Impurity B10,11-Dihydro-N,β-diMethyl-Nortrimipramine hemifumarate saltN-Desmethyltrimipramine, 10 mM in DMSON Desmethyltrimipramine,NDesmethyltrimipramine5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,β-dimethyl-
MonodemethyltrimiprimineMonodesmethyltrimipramineUNII-I453QU04O6starbld0004854N-desmethyl TrimipramineTRIMIPRAMINE_met008orb1218375orb1298345
Database identifiers
- CAS
2293-21-2- PubChem CID
- 160632
- DTXSID
DTXSID70945611- UNII
- I453QU04O6
- Nikkaji
- J393.500K
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 293
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Trimipramine
Collision Cross Section176.76 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Boiling point
- 415.2 · 415.2±44.0 °C(Predicted)
- Density
- 1.034 · 1.034±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 10.4 · 10.40±0.20(Predicted)
- form
- Oil
- color
- Dark Yellow to Light Brown
- FDA UNII
- 453 QU04O6 · I453QU04O6
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301+H311+H331-H370
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
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- Hazard statements
- H225-H301+H311+H331-H370
- Precautionary statements
- P210-P240-P241-P242-P243-P260-P264-P270-P271-P280-P301+P310-P321-P330-P303+P361+P353-P304+P340-P307+P311-P312-P361+P364-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Pharmacology
Metabolism/MetabolitesDesmethyltrimipramine is a known human metabolite of (r)-trimipramine.
Applications
UsesA metabolite of Trimipramine (T799000).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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