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ZK 93426 hydrochloride - ≥99%(HPLC), high purity , CAS No.1216792-30-1

COA

Grade & Purity:

≥99%(HPLC)

Cas Number: 1216792-30-1
Molecular Weight: 348.82
PubChem CID: 56972167

In stock

Item Number

Z287475

Grouped product items
SKU	Size	Availability	Price	Qty
Z287475-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$164.90
Z287475-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$594.90

Potent and competitive benzodiazepine antagonist

View related series

Ion channel (2197)

Basic Description

Synonyms	1216792-30-1 \| ZK 93426 HYDROCHLORIDE \| Ethyl 5-isopropoxy-4-methyl-9H-beta-carboline-3-carboxylate hydrochloride \| DTXSID401028093 \| CS-0028001 \| ethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride \| ZK 93426 (hydrochloride
Specifications & Purity	≥99%(HPLC)
Biochemical and Physiological Mechanisms	Potent, selective and competitive benzodiazepine receptor antagonist (IC50values are 0.4 and 0.7 nM for inhibition of [3H]-flunitrazepam binding to rat cerebellum and hippocampus respectively). Similarin vivoprofile toflumazenil(Ro 15-1788, Cat No. 1328);
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Pyridoindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Pyridoindoles
Intermediate Tree Nodes	Not available
Direct Parent	Beta carbolines
Alternative Parents	Pyridinecarboxylic acids Indoles Phenol ethers Methylpyridines Alkyl aryl ethers Pyrroles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Beta-carboline - Indole - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Ether - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
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

Names and Identifiers

IUPAC Name	ethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
INCHI	InChI=1S/C18H20N2O3.ClH/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3;/h6-10,20H,5H2,1-4H3;1H
InChIKey	RNQJDOYVHCISJU-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=NC=C2C(=C1C)C3=C(N2)C=CC=C3OC(C)C.Cl
Isomeric SMILES	CCOC(=O)C1=NC=C2C(=C1C)C3=C(N2)C=CC=C3OC(C)C.Cl
PubChem CID	56972167
Molecular Weight	348.82

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Solvent:water, Max Conc. mg/mL: 34.88, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 17.44, Max Conc. mM: 50
Molecular Weight	348.800 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	348.124 Da
Monoisotopic Mass	348.124 Da
Topological Polar Surface Area	64.200 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	428.000
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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