Methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azanium;chloride
Basic information
- CAS
894-71-3- Standard SMILES
C[NH2+]CCC=C1c2ccccc2CCc2ccccc21.[Cl-]- InChIKey
SHAYBENGXDALFF-UHFFFAOYSA-N- Molecular formula
- C19H22ClN
- Average molar mass
- 299.8 g/mol
- Monoisotopic mass
- 299.1440774
Overview
See also: Nortriptyline Hydrochloride (preferred); Nortriptyline (has active moiety).
Names & identifiers
- Preferred name
- Methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azanium;chloride
- IUPAC
- methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azanium chloride
- English name
- Nortriptyline hydrochloride
- Molecular formula
- C19H22ClN
- Molecular weight
- 299.84
Names & synonyms
Methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azanium;chlorideNORTRIPTYLINE HCLVividylAcetexapamelorSensivalNorzepinenortrilenNorfenazinaventylallegronDesitriptyline HCl
Database identifiers
- CAS
894-71-3- PubChem CID
- 13468
Properties
Computed structural properties
- Topological polar surface area
- 16.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 217 · 217-220C
- Flash point
- 9 ℃ · 9℃
- storage temp.
- 2 · 2-8°C
- solubility
- 100 mg/mL · ethanol: 100 mg/mL
- form
- powder
- color
- white to off-white
- λmax
- 237 nm · 237nm(H2O)(lit.)
- Merck
- 14 · 14,6715
- InChI
- InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H
- InChIKey
- SHAYBENGXDALFF-UHFFFAOYSA-N
- SMILES
- C1(=C/CCNC)\C2C=CC=CC=2CCC2C=CC=CC\1=2.Cl
- NCI Dictionary of Cancer Terms
- Pamelor
- FDA UNII
- 0 FN6IH15D · 00FN6IH15D
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 77 · NA.77
- 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.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- HP0175000
- ridadr
- UN 1230 3/PG 2
- hs_code
- 2921490002
- Toxicity
- LD50 oral in rat: 405mg/kg
- risk_code
- 22-36/38-23/25-11-39/23/24/25-23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T,F
- safety_code
- 22-36-45-24-16-7-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
UsesNortriptyline Hydrochloride (Amitriptyline EP Impurity C) is a tricyclic antidepressant.
UsesMonoamine reuptake inhibitor; tricyclic antidepressant.
General DescriptionPertinent biological and chemical properties for nortriptyline,3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)Nmethyl-1-propanamine hydrochloride, 5-(3-methyl-aminopropylidene)-10,11-hydro-5H-dibenzo[a,d] cycloheptene hydrochloride(Aventyl, Pamelor), are given previously in thediscussion of amitriptyline. Metabolic inactivation and eliminationare like those of amitriptyline. Nortriptyline is a selectiveNE transporter (NET) inhibitor.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Nortriptyline hydrochloride is an organic tricyclic compound. It has a role as a geroprotector.
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