Nefopam Hydrochloride supplier

Name
Nefopam hydrochloride
EINECS 245-585-5
CAS No. 23327-57-3
Article Data3
CAS DataBase
Density 1.064g/cm3
Solubility
Melting Point 238-242°
Formula C₁₇H₁₉NO^.HCl
Boiling Point 369.5 °C at 760 mmHg
Molecular Weight 289.805
Flash Point 109 °C
Transport Information UN 3249
Appearance
Safety 36/37/39-45
Risk Codes 23/24/25
Molecular Structure
Hazard Symbols T
Synonyms 1H-2,5-Benzoxazocine,3,4,5,6-tetrahydro-5-methyl-1-phenyl-, hydrochloride (8CI,9CI);Acupan;Ajan;Fenazoxine hydrochloride;R 738;
PSA 12.47000
LogP 3.97790

Nefopam Hydrochloride Specification

The Nefopam Hydrochloride is an organic compound with the formula C₁₇H₁₉NO^.HCl. The IUPAC name of this chemical is 5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine hydrochloride. With the CAS registry number 23327-57-3, it is also named as Sodium Phenoxyacetate.

Physical properties about Nefopam Hydrochloride are: (1)ACD/LogP: 1.34; (2)ACD/LogD (pH 5.5): -0.98; (3)ACD/LogD (pH 7.4): -2.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.53 Å²; (12)Flash Point: 115.1 °C; (13)Enthalpy of Vaporization: 55.35 kJ/mol; (14)Boiling Point: 285 °C at 760 mmHg; (15)Vapour Pressure: 0.00135 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]C(=O)COc1ccccc1
(2)InChI: InChI=1/C8H8O3.Na/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
(3)InChIKey: WPTJBFNYRRZIDZ-REWHXWOFAQ
(4)Std. InChI: InChI=1S/C8H8O3.Na/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
(5)Std. InChIKey: WPTJBFNYRRZIDZ-UHFFFAOYSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intramuscular	30mg/kg (30mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toxicology and Applied Pharmacology. Vol. 33, Pg. 46, 1975.
dog	LD50	intravenous	20mg/kg (20mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toxicology and Applied Pharmacology. Vol. 33, Pg. 46, 1975.
dog	LD50	oral	200mg/kg (200mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toxicology and Applied Pharmacology. Vol. 33, Pg. 46, 1975.
mouse	LD50	intramuscular	53mg/kg (53mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toxicology and Applied Pharmacology. Vol. 33, Pg. 46, 1975.
mouse	LD50	intraperitoneal	70mg/kg (70mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 269, 1972.
mouse	LD50	intravenous	45mg/kg (45mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 269, 1972.
mouse	LD50	oral	119mg/kg (119mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 269, 1972.
rat	LD50	intramuscular	57mg/kg (57mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toxicology and Applied Pharmacology. Vol. 33, Pg. 46, 1975.
rat	LD50	intravenous	28mg/kg (28mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 269, 1972.
rat	LD50	oral	80mg/kg (80mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toxicology and Applied Pharmacology. Vol. 33, Pg. 46, 1975.

Product Name

Nefopam hydrochloride

Nefopam Hydrochloride Specification

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