Doxapram hydrochloride monohydrate - ≥98% , Potassium channel subfamily K member 9 blocker, CAS No.7081-53-0, Potassium channel subfamily K member 9 blocker

CAS: 7081-53-0 Cat. No.: D275333 Molecular Weight: 432.98 EC Number: 615-173-3

GRADE & PURITY ≥98%

Synonyms

1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenylpyrrolidin-2-one xhydrochloride yhydrate | CCG-269048 | Doxapram HCl H2O | 2-PYRROLIDINONE, 1-ETHYL-4-(2-(4-MORPHOLINYL)ETHYL)-3,3-DIPHENYL-, MONOHYDROCHLORIDE, MONOHYDRATE, (+/-)- | 2-Pyrrolidinone, 1-ethyl-4-(2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Store at Room Temperature. The product can be stored for up to 12 months.

Specifications

Synonyms

1-Ethyl-4-(2-morpholinoethyl)-3, 3-diphenylpyrrolidin-2-one xhydrochloride yhydrate | CCG-269048 | Doxapram HCl H2O | 2-PYRROLIDINONE, 1-ETHYL-4-(2-(4-MORPHOLINYL)ETHYL)-3, 3-DIPHENYL-, MONOHYDROCHLORIDE, MONOHYDRATE, (+/-)- | 2-Pyrrolidinone, 1-ethyl-4-(2-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

K + channel blocker. Stimulates dopamine release from carotid bodies and glial cells in brainstem slices. Respiratory system agent and CNS stimulant. Active in vitro and in vivo .

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

BLOCKER

Mechanism of action

Potassium channel subfamily K member 9 blocker

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183634
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183634
• Canonical Smiles: CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4.O.Cl
• IUPAC Name: 1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;hydrate;hydrochloride
• InChIKey: ZOMBFZRWMLIDPX-UHFFFAOYSA-N
• INCHI: 1S/C24H30N2O2.ClH.H2O/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;;/h3-12,22H,2,13-19H2,1H3;1H;1H2
• Isomeric SMILES: CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4.O.Cl
• Molecular Weight: 432.98
• Reaxy-Rn: 30243666
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30243666&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylpyrrolidines Aralkylamines Morpholines N-alkylpyrrolidines Pyrrolidine-2-ones Tertiary carboxylic acid amides Pyrroles Trialkylamines Amino acids and derivatives Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - 3-phenylpyrrolidine - Aralkylamine - Morpholine - Oxazinane - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Lactam - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: hydrate

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: Moisture sensitive
• Molecular Weight: 433.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 432.218 Da
• Monoisotopic Mass: 432.218 Da
• Topological Polar Surface Area: 33.800 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 487.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Sun Kaiyue, Bai Yuting, Zhao Rong, Guo Zijiao, Su Xiang, Li Peiqi, Yang Pengyu.  (2018)  Neuroprotective effects of matrine on scopolamine-induced amnesia via inhibition of AChE/BuChE and oxidative stress.  METABOLIC BRAIN DISEASE,  34  (1): (173-181).  [PMID:30406376] [10.1007/s11011-018-0335-y]