Basic information
- CAS
23327-57-3- Standard SMILES
CN1CCOC(c2ccccc2)c2ccccc2C1.Cl- InChIKey
CNNVSINJDJNHQK-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO
- Average molar mass
- 289.8 g/mol
- Monoisotopic mass
- 289.123342
Overview
Nefopam Hydrochloride is the hydrochloride salt form of nefopam, a centrally-acting, non-opioid benzoxazocine with analgesic activity. The mechanism of action through which nefopam exerts its analgesic effects is, as of yet, largely unknown but may involve inhibition of serotonin, dopamine and noradrenaline reuptake.
Names & identifiers
- Preferred name
- Nefopam Hydrochloride
- IUPAC
- 5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine;hydrochloride
- English name
- Nefopam hydrochloride
- Molecular formula
- C17H20ClNO
- Molecular weight
- 289.8
Names & synonyms
Nefopam hydrochloride23327-57-3Nefopam HClAcupanDTXSID70454413,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride685J48E13WNSC-757856DTXCID50254411H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-, hydrochlorideHydrochloride, NefopamRefChem:164997
Show more names
ajanr738NAFOPAN HCLNefopam HCl DC gradeNefopam HCl - Bio-X ?LABOTEST-BB LT00159839fenazoxinehydrochloride
(+-)-Nefopam hydrochlorideCHEBI:88312245-585-55-Methyl-1-phenyl-3,4,5,6-tetrahydro-1H-benzo[f][1,4]oxazocine hydrochlorideFenazoxine hydrochlorideNefopam (hydrochloride)1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-, hydrochloride (1:1)Nefopam hydrochloride [USAN]
Database identifiers
- CAS
23327-57-3、69319-31-9- PubChem CID
- 155290
Properties
Computed structural properties
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 274
Experimental & physicochemical properties
Solubility>43.5 [ug/mL] (The mean of the results at pH 7.4)
Human DrugsBreast Feeding; Lactation; Milk, Human; Analgesics, Non-Narcotic
Physicochemical properties
- Melting point
- 238 · 238-242°
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: soluble5mg/mL, clear
- form
- powder
- color
- white to beige
- Water Solubility
- 2 O: · H2O: 5mg/mL, clear
- InChI
- 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
- InChIKey
- CNNVSINJDJNHQK-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC=C2)C2=CC=CC=C2CN(C)CCO1.[H]Cl
- CAS DataBase Reference
- 23327 · 23327-57-3(CAS DataBase Reference)
- FDA UNII
- 685 J48E13W · 685J48E13W
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: 3,4,5,6-tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride (EC: 245-585-5)
Nefopam hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-, hydrochloride: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Safety data
- wgk
- 3
- ridadr
- 3249
- hs_code
- 2933.49.2600
- Toxicity
- LD50 in mice, rats (mg/kg): 119, 178 orally; 44.5, 28 i.v. (Baltes)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationA subclass of analgesic agents that typically do not bind to OPIOID RECEPTORS and are not addictive. Many non-narcotic analgesics are offered as NONPRESCRIPTION DRUGS.
Applications
UsesNefopam hydrochloride has been used as a standard for the quantitative determination of tramadol by gas chromatography–mass spectrometry (GC/MS).
UsesA cyclized analog of orphenadrine and diphenhydramine; representative of a new class of centrally acting skeletal muscle relaxants, the benzoxazocines. Analgesic; antidepressant.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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