Nefopam HCl - 10mM in Water , CAS No.23327-57-3

CAS: 23327-57-3 Cat. No.: N422756 Molecular Weight: 289.8 EC Number: 245-585-5

GRADE & PURITY 10mM in Water

Synonyms

MFCD00012750 | Q27264216 | 5-Methyl-1-phenyl-3,4,5,6-tetrahydro-1H-benzo[f][1,4]oxazocine hydrochloride | DTXCID5025441 | MFCD00000909 | 1H-2,5-BENZOXAZOCINE, 5-METHYL-1-PHENYL-3,4,5,6-TETRAHYDRO-, HYDROCHLORIDE | BCP13749 | Pallopikeron | CAS-23327-57-3

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

MFCD00012750 | Q27264216 | 5-Methyl-1-phenyl-3, 4, 5, 6-tetrahydro-1H-benzo[f][1, 4]oxazocine hydrochloride | DTXCID5025441 | MFCD00000909 | 1H-2, 5-BENZOXAZOCINE, 5-METHYL-1-PHENYL-3, 4, 5, 6-TETRAHYDRO-, HYDROCHLORIDE | BCP13749 | Pallopikeron | CAS-23327-57-3

Specifications & Purity

10mM in Water

Biochemical and Physiological Mechanisms

Nefopam is a centrally-acting analgesic drug of the benzoxazocine chemical class. Nefopam is a non-opioid, but has a potentiating effect on morphine and other opioids. Its mechanism of action is not certain, but may involve its action as a dopamine/seroto

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3.Cl
• IUPAC Name: 5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine;hydrochloride
• InChIKey: CNNVSINJDJNHQK-UHFFFAOYSA-N
• INCHI: 1S/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H
• Isomeric SMILES: CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3.Cl
• WGK Germany: 3
• Alternate CAS: 13669-70-0
• Molecular Weight: 289.8
• Reaxy-Rn: 3575294
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3575294&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Benzene and substituted derivatives Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic salt - Organic chloride salt - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• 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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

Discover Target: fba

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: heat sensitive
• Melt Point(°C): 260°C
• Molecular Weight: 289.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 289.123 Da
• Monoisotopic Mass: 289.123 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 274.000
• 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: 2

XLogP3

References

1. Xiaofei Ma, Zhenyu Fan, Zhiyuan Tang, Liangliang Cai.  (2024)  Investigation on improvement of enantioseparation based on clindamycin phosphate by chiral deep eutectic solvents in capillary electrophoresis.  JOURNAL OF SEPARATION SCIENCE,  47  (3): (2300847).  [PMID:38356235] [10.1002/jssc.202300847]