CAS No.33386-08-2,Buspirone hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	33386-08-2
Name:	Buspirone hydrochloride
Article Data:	6

Formula:	C₂₁H₃₁N₅O₂^.HCl
Molecular Weight:	421.97
Synonyms:	1,1-Cyclopentanediacetimide,N-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, monohydrochloride (8CI);8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-,monohydrochloride (9CI);8-[4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dionehydrochloride;Ansial;Ansiced;Ansiten;Axoren;Bespar;Buscalma;Buspa;Buspar;Buspimem;Buspinol;Buspirone hydrochloride;Buspironemonohydrochloride;Buspisal;Busron;Censpar;Lucelan;MJ 9022-1;Narol;Travin;
EINECS:	251-489-4
Density:	1.24g/cm3
Melting Point:	201.5-202.5 °C
Boiling Point:	613.9 °C at 760 mmHg
Flash Point:	325.1 °C
Solubility:	Soluble in methanol (50 mg/ml), water (partly), DMSO (100 mM).
Appearance:	white solid
Hazard Symbols:	T, Xn
Risk Codes:	25-36/37/38-20/21/22
Safety:	45-36-26
Transport Information:	UN 2811 6.1/PG 3
PSA:	69.64000
LogP:	2.83100

Raw Materials

1075-89-4

20980-22-7

110-52-1

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Specification

The IUPAC name of Buspirone hydrochloride is 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride. With the CAS registry number 33386-08-2, it is also named as 1,1-Cyclopentanediacetimide, N-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, hydrochloride. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals; Serotonin Receptor. Besides, it is white solid, which should be sealed at 2-8 °C. This chemical is used as a receptor agonist of 5-Hydroxytryptamine. In addition, its molecular formula is C₂₁H₃₁N₅O₂^.HCl and molecular weight is 421.96.

The other characteristics Buspirone hydrochloride can be summarized as: (1)EINECS: 251-489-4; (2)ACD/LogP: 3.43; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.26; (5)ACD/LogD (pH 7.4): 3.37; (6)ACD/BCF (pH 5.5): 16.18; (7)ACD/BCF (pH 7.4): 205.29; (8)ACD/KOC (pH 5.5): 118.63; (9)ACD/KOC (pH 7.4): 1504.97; (10)#H bond acceptors: 7; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 6; (13)Polar Surface Area: 69.64 Å²; (14)Flash Point: 325.1 °C; (15)Melting Point: 201.5-202.5 °C; (16)Enthalpy of Vaporization: 91.11 kJ/mol; (17)Boiling Point: 613.9 °C at 760 mmHg; (18)Vapour Pressure: 5.24E-15 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful and toxic by inhalation, in contact with skin and if swallowed. It is also irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.O=C1N(C(=O)CC2(C1)CCCC2)CCCCN4CCN(c3ncccn3)CC4
(2)InChI: InChI=1/C21H31N5O2.ClH/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9H,1-4,6-7,10-17H2;1H
(3)InChIKey: RICLFGYGYQXUFH-UHFFFAOYAP

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	oral	586mg/kg (586mg/kg)		Medicamentos de Actualidad. Vol. 23, Pg. 311, 1987.
human	TDLo	oral	285ug/kg (0.285mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE	Clinical Pharmacology and Therapeutics Vol. 57, Pg. 349, 1995.
mammal (species unspecified)	LD50	unreported	140mg/kg (140mg/kg)		Pharmaceutical Chemistry Journal Vol. 25, Pg. 193, 1991.
man	TDLo	oral	4mg/kg/2W-I (4mg/kg)	BEHAVIORAL: EUPHORIA	British Journal of Psychiatry. Vol. 158, Pg. 136, 1991.
monkey	LD50	oral	356mg/kg (356mg/kg)		Medicamentos de Actualidad. Vol. 23, Pg. 311, 1987.
mouse	LD50	intraperitoneal	146mg/kg (146mg/kg)	BEHAVIORAL: ANTIPSYCHOTIC BEHAVIORAL: ALTERATION OF CLASSICAL CONDITIONING	Journal of Medicinal Chemistry. Vol. 15, Pg. 477, 1972.
mouse	LD50	oral	655mg/kg (655mg/kg)		Medicamentos de Actualidad. Vol. 23, Pg. 311, 1987.
rat	LD50	intraperitoneal	136mg/kg (136mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 917, 1974.
rat	LD50	oral	196mg/kg (196mg/kg)		Medicamentos de Actualidad. Vol. 23, Pg. 311, 1987.