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Benzidamine hydrochloride

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Name

Benzidamine hydrochloride

EINECS 205-076-0
CAS No. 132-69-4 Density N/A
PSA 30.29000 LogP 4.21710
Solubility soluble in water, alcohol, chloroform Melting Point 147-153 °C
Formula C19H23N3O.HCl Boiling Point 474.4 °C at 760 mmHg
Molecular Weight 345.872 Flash Point 240.7 °C
Transport Information N/A Appearance the white crystalline powder
Safety 26-36 Risk Codes 20/21/22-36
Molecular Structure Molecular Structure of 132-69-4 (Benzidamine hydrochloride) Hazard Symbols HarmfulXn
Synonyms

1-Propanamine,N,N-dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-, monohydrochloride(9CI);1-Benzyl-3-(3-dimethylaminopropoxy)-1H-indazole chloride;1-Benzyl-3-[3-(dimethylamino)propoxy]-1H-indazole hydrochloride;Algiflog;Andolex;Benalgin;Benciflam;Bendaminol;Benflogin;Benzyrin;Difflam;Difflam Cream;Dorinamin;Tamas;Tantum;

 

Benzidamine hydrochloride Synthetic route

chlorobase

chlorobase

7440-44-0

pyrographite

13185-09-6

1-benzyl-3-indazolol sodium salt

109-54-6

3-(Dimethylamino)propyl chloride

132-69-4

benzydamine hydrochloride

Conditions
ConditionsYield
In 5,5-dimethyl-1,3-cyclohexadiene; hexane; water73.6%
132-69-4

benzydamine hydrochloride

2531-05-7

4-n-Butyl-1,2-diphenylpyrazolidinon-(3,5) Natriumsalz

37598-92-8

Phenylbutazon-Benzydamin-Salz

Conditions
ConditionsYield
In acetone for 0.166667h; Heating;
132-69-4

benzydamine hydrochloride

A

32852-16-7

N-Demethyl-Benzydamine

B

36504-71-9

Benzydamine N-Oxide

Conditions
ConditionsYield
With cattle liver microsomes; NADPH; magnesium chloride In phosphate buffer at 37℃; for 0.166667h; pH=7.4; Enzyme kinetics; Further Variations:; Solvents; pH-values;

2-(2-dimethylamino-ethoxy)-N,N-dimethylamino-methylene benzamide

132-69-4

benzydamine hydrochloride

2-{2-[2-(N,N-Dimethylamino)ethyl]oxy-phenyl}-4-phenyl-1,3,5-triazine

Conditions
ConditionsYield
With potassium tert-butylate In tetrahydrofuran; ethyl acetate

Benzidamine hydrochloride Specification

The Benzidamine hydrochloride, with the CAS registry number 132-69-4, is also known as 3-[(1-Benzyl-1H-indazol-3-yl)oxy]-N,N-dimethylpropan-1-amine hydrochloride (1:1). It belongs to the product categories of Amines; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS registry number is 205-076-0. This chemical's molecular formula is C19H23N3O.ClH and molecular weight is 345.87. What's more, its IUPAC name is called 3-(1-Benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine hydrochloride. It is used as a nonsteroidal anti-inflammatory drug with local anaesthetic, analgesic and antipyretic properties.

Physical properties about Benzidamine hydrochloride are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.15; (7)ACD/KOC (pH 5.5): 1.74; (8)ACD/KOC (pH 7.4): 22.64; (9)#H bond acceptors: 4 ; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 30.29 Å2; (13)Flash Point: 240.7 °C; (14)Enthalpy of Vaporization: 73.77 kJ/mol; (15)Boiling Point: 474.4 °C at 760 mmHg; (16)Vapour Pressure: 3.64E-09 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and it is irritating to eyes. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.n2c(OCCCN(C)C)c1ccccc1n2Cc3ccccc3
(2) InChI: InChI=1S/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H
(3) InChIKey: HNNIWKQLJSNAEQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD intraperitoneal > 50mg/kg (50mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

GASTROINTESTINAL: NAUSEA OR VOMITING
Toxicology and Applied Pharmacology. Vol. 10, Pg. 148, 1967.
child TDLo oral 50mg/kg (50mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Archiv fuer Toxikologie. Vol. 23, Pg. 215, 1968.
dog LD oral > 50mg/kg (50mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: NAUSEA OR VOMITING
Toxicology and Applied Pharmacology. Vol. 10, Pg. 148, 1967.
mouse LD50 intraperitoneal 110mg/kg (110mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE WEAKNESS
Toxicology and Applied Pharmacology. Vol. 10, Pg. 148, 1967.
mouse LD50 intravenous 33mg/kg (33mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology and Applied Pharmacology. Vol. 10, Pg. 148, 1967.
mouse LD50 oral 440mg/kg (440mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA
Oyo Yakuri. Pharmacometrics. Vol. 16, Pg. 1011, 1978.
mouse LD50 subcutaneous 218mg/kg (218mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology and Applied Pharmacology. Vol. 10, Pg. 148, 1967.
rabbit LD intravenous > 5mg/kg (5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

BEHAVIORAL: EXCITEMENT
Toxicology and Applied Pharmacology. Vol. 10, Pg. 148, 1967.
rat LD50 intraperitoneal 72mg/kg (72mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 65, Pg. 620, 1969.
rat LD50 intravenous 43500ug/kg (43.5mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 70, 1968.
rat LD50 oral 740mg/kg (740mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Yakugaku Zasshi. Journal of Pharmacy. Vol. 99, Pg. 240, 1979.
rat LD50 subcutaneous 720mg/kg (720mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 70, 1968.

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