Norclomipramine hydrochloride - ≥98% , CAS No.29854-14-6

CAS: 29854-14-6 Cat. No.: N485926 Molecular Weight: 337.29 EC Number: 642-183-5

GRADE & PURITY ≥98%

Synonyms

N-Desmethyl Clomipramine Hydrochloride | 3-Chloro-10,11-dihydro-N-methyl-5H-dibenz[b,f]azepine-5-propanamine Hydrochloride | Chlordesipramine Hydrochloride | Demethylchlorimipramine Hydrochloride | Norchlorimipramine Hydrochloride | Norclomipramine Hydroc

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

N-Desmethyl Clomipramine hydrochloride (Desmethylclomipramine hydrochloride) is a primary plasma N-desmethyl metabolite of Clomipramine. Clomipramine is a tricyclic antidepressant.

Specifications

Synonyms

N-Desmethyl Clomipramine Hydrochloride | 3-Chloro-10, 11-dihydro-N-methyl-5H-dibenz[b, f]azepine-5-propanamine Hydrochloride | Chlordesipramine Hydrochloride | Demethylchlorimipramine Hydrochloride | Norchlorimipramine Hydrochloride | Norclomipramine Hydroc

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Tricyclic antidepressant; an active metabolite of clomipramine that preferentially blocks the norepinephrine transporter.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528773777
• Canonical Smiles: CNCCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.Cl
• IUPAC Name: 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride
• InChIKey: KMDDAZOLOSKTKZ-UHFFFAOYSA-N
• INCHI: 1S/C18H21ClN2.ClH/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21;/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3;1H
• Isomeric SMILES: CNCCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.Cl
• WGK Germany: 2
• Alternate CAS: 303-48-0
• Molecular Weight: 337.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzazepines
      • Subclass Dibenzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Alkyldiarylamines Azepines Benzenoids Aryl chlorides Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Alkyldiarylamine - Tertiary aliphatic/aromatic amine - Azepine - Aryl chloride - Aryl halide - Benzenoid - Tertiary amine - Secondary aliphatic amine - Azacycle - Secondary amine - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: light & Moisture sensitive
• Flash Point(°F): 35.6 °F
• Flash Point(°C): 2 °C
• Molecular Weight: 337.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 336.116 Da
• Monoisotopic Mass: 336.116 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 322.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3