The Flavoxate hydrochloride, with the CAS registry number 3717-88-2,is also known as 3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid 2-(1-piperidinyl)ethyl ester hydrochloride. It belongs to the product categories of 3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid 2-(1-piperidinyl)ethyl ester hydrochloride. This chemical's molecular formula is C
24
H
25
NO
4
.
HCl;C
24
H
26
ClNO
4
and molecular weight is 427.93.Its EINECS number is 223-066-4. What's more,Its systematic name is Flavoxate hydrochloride. It is a Crystalline Solid which is a drug that has been used in various urinary syndromes and as an antispasmodic. Its therapeutic usefulness and its mechanism of action are not clear. It may have local anesthetic activity and direct relaxing effects on smooth muscle as well as some activity as a muscarinic antagonist. It is harmful if swallowed and irritating to eyes, respiratory system and skin .In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Physical properties about Flavoxate hydrochloride are:
(1)ACD/LogP: 5.184; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Flash Point: 294.9 °C; (7)Enthalpy of Vaporization: 84.76 kJ/mol ; (8)Boiling Point: 564.1 °C at 760 mmHg; (9)Vapour Pressure: 9.56E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Cl.O=C(OCCN1CCCCC1)c4cccc2c4O/C(=C(\C2=O)C)c3ccccc3;
(2)Std. InChI:InChI=1S/C24H25NO4.ClH/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-16H2,1H3;1H;
(3)Std. InChIKey:XOEVKNFZUQEERE-UHFFFAOYSA-N.
The toxicity data of Flavoxate hydrochloride are as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 350mg/kg (350mg/kg) |
BEHAVIORAL: ANALGESIA
AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC |
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 131, Pg. 187, 1961. |
mouse | LD50 | intravenous | 28mg/kg (28mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 232, 1979. | |
mouse | LD50 | oral | 740mg/kg (740mg/kg) |
BEHAVIORAL: EXCITEMENT
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) |
Journal of Pharmacology and Experimental Therapeutics. Vol. 130, Pg. 356, 1960. |
mouse | LD50 | subcutaneous | 610mg/kg (610mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 232, 1979. | |
rabbit | LD50 | intravenous | 25mg/kg (25mg/kg) | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 3, Pg. 1214, 1975. | |
rabbit | LD50 | oral | > 6gm/kg (6000mg/kg) | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 3, Pg. 1214, 1975. | |
rat | LD50 | intraperitoneal | 170mg/kg (170mg/kg) |
GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) |
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 5271, 1987. |
rat | LD50 | intravenous | 25mg/kg (25mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 232, 1979. | |
rat | LD50 | oral | 1040mg/kg (1040mg/kg) |
LUNGS, THORAX, OR RESPIRATION: CYANOSIS
GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) |
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 5271, 1987. |
rat | LD50 | subcutaneous | 1010mg/kg (1010mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 232, 1979. |