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3717-88-2

Basic Information
CAS No.: 3717-88-2
Name: Flavoxate hydrochloride
Molecular Structure:
Molecular Structure of 3717-88-2 (Flavoxate hydrochloride)
Formula: C24H26ClNO4
Molecular Weight: 427.96
Synonyms: 4H-1-Benzopyran-8-carboxylicacid, 3-methyl-4-oxo-2-phenyl-, 2-(1-piperidinyl)ethyl ester, hydrochloride(9CI);1-Piperidineethanol,3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate (ester), hydrochloride(8CI);Bladderon;Genurin;Patricin;Peflate;Piperidinoethyl-3-methylflavone-8-carboxylate hydrochloride;Spasmal;Spasuret;Urispas;
EINECS: 223-066-4
Density: 1.203 g/cm3
Melting Point: 232-234 °C
Boiling Point: 564.1 °C at 760 mmHg
Flash Point: 294.9 °C
Solubility: Soluble in water
Appearance: crystalline solid
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 26
Transport Information:
PSA: 59.75000
LogP: 5.15100
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    Name Flavoxate hydrochloride CAS No. 3717-88-2 EINECS 223-066-4 MF C24H26ClNO4 MW 427.92 MP 232-234°C

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  • Flavoxate hydrochloride

  • Casno:

    3717-88-2

    Flavoxate hydrochloride

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Specification

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 C24H25NO4.HCl;C24H26ClNO4 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.

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