Oxybutynin hydrochloride supplier

Name
Oxybutynin hydrochloride
EINECS 216-139-7
CAS No. 1508-65-2
Density
Solubility
Melting Point 122-124 ºC
Formula C₂₂H₃₁NO₃. ClH
Boiling Point 494.4 ºC at 760 mmHg
Molecular Weight 393.954
Flash Point 252.8 ºC
Transport Information
Appearance white to off-white solid
Safety 36
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Benzeneaceticacid, a-cyclohexyl-a-hydroxy-, 4-(diethylamino)-2-butynylester, hydrochloride (9CI);2-Butyn-1-ol,4-(diethylamino)-, a-phenylcyclohexaneglycolate (ester), hydrochloride (8CI);4-(Diethylamino)-2-butynyl a-phenylcyclohexaneglycolate hydrochloride;Cystrin;Dridase;MJ 4309-1;MJ50-58;Oxybutynin chloride;Pollakisu;Tropax;
PSA 49.77000
LogP 4.14490

Synthetic route

: 5633-20-5, 119579-36-1, 119618-21-2, 119618-22-3, 1508-65-2
oxybutynin

: 1508-65-2
Oxybutynin chloride

Conditions

Conditions	Yield
With hydrogenchloride In methanol at 20℃; pH=2;

: 22396-77-6
acetic acid-(4-diethylamino-but-2-ynyl ester)

: 10399-13-0
methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

: 1508-65-2
Oxybutynin chloride

Conditions

Conditions	Yield
Stage #1: acetic acid-(4-diethylamino-but-2-ynyl ester); methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate With sodium methylate In n-heptane at 65 - 100℃; Inert atmosphere; Stage #2: With hydrogenchloride In n-heptane; water

: 1508-65-2
Oxybutynin chloride

A: 10575-25-4
4-diethylamino-2-butyn-1-ol

B: 4335-77-7, 20585-34-6, 20585-39-1, 50896-04-3
cyclohexylmandelic acid

Conditions

Conditions	Yield
With sodium hydroxide at 100℃; for 3h;

: 1508-65-2
Oxybutynin chloride

: 5633-20-5, 119579-36-1, 119618-21-2, 119618-22-3, 1508-65-2
oxybutynin

Conditions

Conditions	Yield
With water; sodium hydroxide In n-heptane at 20 - 45℃; pH=10.0 - 11.0;

: 1508-65-2
Oxybutynin chloride

: 4335-77-7, 20585-34-6, 20585-39-1, 50896-04-3
cyclohexylmandelic acid

Conditions

Conditions	Yield
With human liver cytosol at 37℃; pH=7.6; Kinetics; Reagent/catalyst; aq. buffer; Enzymatic reaction;

Oxybutynin hydrochloride Specification

The Oxybutynin chloride, with the CAS registry number 1508-65-2, has the IUPAC name of 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrochloride. Being a kind of white to off-white solid, its product categories are including Antibiotics; All Inhibitors; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. Besides, it is usually applied as the antispasmodic drugs for urinary urgency, frequent urination, urinary incontinence, nocturia and enuresis, etc.

The physical properties of this chemical are as follows: (1)ACD/LogP: 5.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 13.48; (6)ACD/BCF (pH 7.4): 656.3; (7)ACD/KOC (pH 5.5): 41.33; (8)ACD/KOC (pH 7.4): 2012.24; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 38.77; (13)Flash Point: 252.8 °C; (14)Enthalpy of Vaporization: 80.22 kJ/mol; (15)Boiling Point: 494.4 °C at 760 mmHg; (16)Vapour Pressure: 1.37E-10 mmHg at 25°C; (17)Exact Mass: 393.207072; (18)MonoIsotopic Mass: 393.207072; (19)Topological Polar Surface Area: 49.8; (20)Heavy Atom Count: 27; (21)Complexity: 490.

When you are dealing with this chemical, you should be very cautious. For being a kind of harmful chemical, it may cause damage to health and it is harmful if swallowed. Therefore, you should wear suitable protective clothing.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl
(2)InChI: InChI=1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H
(3)InChIKey: SWIJYDAEGSIQPZ-UHFFFAOYSA-N

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	oral	> 400mg/kg (400mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 156, Pg. 467, 1965.
mouse	LD50	intraperitoneal	185mg/kg (185mg/kg)	AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 156, Pg. 467, 1965.
mouse	LD50	intravenous	42mg/kg (42mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11090,
mouse	LD50	oral	725mg/kg (725mg/kg)	AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 156, Pg. 467, 1965.
mouse	LD50	subcutaneous	2225mg/kg (2225mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat	LD50	intraperitoneal	223mg/kg (223mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat	LD50	intravenous	61mg/kg (61mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat	LD50	oral	460mg/kg (460mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat	LD50	subcutaneous	740mg/kg (740mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
women	TDLo	oral	2mg/kg (2mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE CARDIAC: CHANGE IN RATE BEHAVIORAL: COMA	Human & Experimental Toxicology. Vol. 10, Pg. 225, 1991.

Product Name

Oxybutynin hydrochloride

Synthetic route

Oxybutynin hydrochloride Specification

Related Products

Hot Products