3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-1-aminium chloride
Basic information
- CAS
1225-55-4- Standard SMILES
C[NH2+]CCCC1c2ccccc2C=Cc2ccccc21.[Cl-]- InChIKey
OGQDIIKRQRZXJH-UHFFFAOYSA-N- Molecular formula
- C19H22ClN
- Average molar mass
- 299.8 g/mol
- Monoisotopic mass
- 299.1440774
Overview
Protriptyline hydrochloride is a hydrochloride. It has a role as an antidepressant. It contains a protriptyline.
Names & identifiers
- Preferred name
- 3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-1-aminium chloride
- IUPAC
- methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propyl]azanium chloride
- English name
- Protriptyline hydrochloride
- Molecular formula
- C19H22ClN
- Molecular weight
- 299.84
Names & synonyms
3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-1-aminium chloridemethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propyl]azanium;chloridemk-240maximedconcordinnormethylex4442PROTRIPTYLINE HCLPropriptyline HClPropriptyline HCltriptilhydrochlorideProtirine hydrochlorideProtriptylin hydrochloride
Database identifiers
- CAS
1225-55-4- PubChem CID
- 14667
- ChEBI
CHEBI:8598
Properties
Computed structural properties
- Topological polar surface area
- 16.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 169 · 169-171°
- Flash point
- 9 ℃ · 9℃
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: soluble50mg/mL
- pka
- 8.2 · 8.2(at 25℃)
- form
- powder
- color
- white to off-white
- Water Solubility
- 2 O: · H2O: 50mg/mL
- Stability
- Hygroscopic
- 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;/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3;1H
- InChIKey
- OGQDIIKRQRZXJH-UHFFFAOYSA-N
- SMILES
- C1(CCCNC)C2C=CC=CC=2C=CC2C=CC=CC1=2.Cl
- FDA UNII
- 44665 V00O8 · 44665V00O8
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
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
- HP1400000
- ridadr
- 3249
- hs_code
- 2921490002
- Toxicity
- dog,LDLo,oral,400mg/kg (400mg/kg),"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 88, 1972.
- risk_code
- 20/21/22-36/37/38-39/23/24/25-23/24/25-11
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,T,F
- safety_code
- 26-36-45-36/37-16-7
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301-H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P310-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
UsesMonoamine reuptake inhibitor; tricyclic antidepressant.
General DescriptionProtriptyline hydrochloride, N-methyl-5H-dibenzo[a,d]-cycloheptene-5-propylamine hydrochloride, 5-(3-methylaminopropyl)-5H-dibenzo[a,d]cycloheptene hydrochloride(Vivactil), like the other compounds under consideration, isan effective antidepressant. The basis for its chemical namingcan be seen by consulting the naming and the structureof imipramine. Protriptyline is a structural isomer of nortriptyline.Inactivation can be expected to involve the relativelylocalized double bond. Because it is a monomethylcompound, its sedative potential is low.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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