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Small Molecules & Compound Libraries
Dibenzepine HCl - 10mM in DMSO, high purity , CAS No.315-80-0

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Dibenzepine HCl - 10mM in DMSO, high purity , CAS No.315-80-0

COA

Grade & Purity:

10mM in DMSO

Cas Number: 315-80-0
Molecular Weight: 303.793646
PubChem CID: 443945

In stock

Item Number

D423289

Grouped product items
SKU	Size	Availability	Price	Qty
D423289-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

a tricyclic antidepressant antipsychotic small molecule

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Compound libraries (12325)

Basic Description

Synonyms	Dibenzepin hydrochloride \| 315-80-0 \| Dibenzepine HCl \| Dibenzepine hydrochloride \| Dibenzepin HCl \| Noveril \| Ansiopax \| Neodalit \| Noveryl \| HF 1927 \| Dibenzepine monohydrochloride \| Dibenzepin hydrochloride [USAN] \| Dibenzepine (hydrochloride) \| NSC-169412 \| JLN0273S4Z \| DTXSID5048
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Dibenzepine HCl is a tricyclic antidepressant used in the treatment of depression especially endogenous depression.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzodiazepines
    - Subclass Dibenzodiazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzodiazepines
Subclass	Dibenzodiazepines
Intermediate Tree Nodes	Not available
Direct Parent	Dibenzodiazepines
Alternative Parents	Alkyldiarylamines 1,4-benzodiazepines 1,4-diazepines Benzenoids Vinylogous amides Tertiary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dibenzodiazepine - Alkyldiarylamine - 1,4-benzodiazepine - Tertiary aliphatic/aromatic amine - Para-diazepine - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Organic salt - Organic chloride salt - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as dibenzodiazepines. These are compounds containing a dibenzodiazepine moiety, which consists of two benzene connected by diazepine ring.
External Descriptors	Not available
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

Product Properties

pKa	pKa: 8.25

Associated Targets(Human)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one;hydrochloride
INCHI	InChI=1S/C18H21N3O.ClH/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22;/h4-11H,12-13H2,1-3H3;1H
InChIKey	RJPZIQRLRMWPRF-UHFFFAOYSA-N
Smiles	CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C.Cl
Isomeric SMILES	CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C.Cl
RTECS	HP2625000
Molecular Weight	303.793646
Reaxy-Rn	4054549
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4054549&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	451.7° C at 760 mmHg (Predicted)
Melt Point(°C)	238-241° C
Molecular Weight	331.800 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	331.145 Da
Monoisotopic Mass	331.145 Da
Topological Polar Surface Area	26.800 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	398.000
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

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