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CAS No.: | 132-69-4 |
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Name: | Benzidamine hydrochloride |
Molecular Structure: | |
Formula: | C19H23N3O.HCl |
Molecular Weight: | 345.872 |
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; |
EINECS: | 205-076-0 |
Melting Point: | 147-153 °C |
Boiling Point: | 474.4 °C at 760 mmHg |
Flash Point: | 240.7 °C |
Solubility: | soluble in water, alcohol, chloroform |
Appearance: | the white crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36 |
Safety: | 26-36 |
PSA: | 30.29000 |
LogP: | 4.21710 |
pyrographite
1-benzyl-3-indazolol sodium salt
3-(Dimethylamino)propyl chloride
benzydamine hydrochloride
Conditions | Yield |
---|---|
In 5,5-dimethyl-1,3-cyclohexadiene; hexane; water | 73.6% |
benzydamine hydrochloride
4-n-Butyl-1,2-diphenylpyrazolidinon-(3,5) Natriumsalz
Phenylbutazon-Benzydamin-Salz
Conditions | Yield |
---|---|
In acetone for 0.166667h; Heating; |
Conditions | Yield |
---|---|
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; |
benzydamine hydrochloride
Conditions | Yield |
---|---|
With potassium tert-butylate In tetrahydrofuran; ethyl acetate |
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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. |