CAS No.61718-82-9,Fluvoxamine maleate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	61718-82-9
Name:	Fluvoxamine maleate
Article Data:	2

Formula:	C₁₅H₂₁F₃N₂O₂^.C₄H₄O₄
Molecular Weight:	434.413
Synonyms:	2-{[(E)-{5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino]oxy}ethanamine (2Z)-but-2-enedioate (1:1);acide (2Z)-but-2-ènedio?que - 2-[({(1E)-5-méthoxy-1-[4-(trifluorométhyl)phényl]pentylidène}amino)oxy]éthanamine (1:1);MK 264 {Maleate};
EINECS:	228-994-3
Melting Point:	120-121.5 °C
Boiling Point:	370.6 °C at 760 mmHg
Flash Point:	177.9 °C
Solubility:	Soluble in water
Appearance:	white crystalline powder
Hazard Symbols:	Xn; Xi
Risk Codes:	22-36/37/38
Safety:	36-36/37/39-27-26
PSA:	131.44000
LogP:	3.61360

Raw Materials

110-16-7

61747-22-6

870-24-6

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Specification

The Fluvoxamine maleate, with the CAS registry number 61718-82-9 and EINECS registry number 228-994-3, is also called 1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (1E)-, (2Z)-2-butenedioate (1:1). It is a kind of crystalline solid, and belongs to the following product categories: Amines; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals; Serotonin receptor. The molecular formula of the chemical is C₁₅H₂₁F₃N₂O₂^.C₄H₄O₄, and it should be stored at 2-8°C. What's more, it is a selective serotonin reuptake inhibitor (SSRI) used as an anti-depressant.

The physical properties of Fluvoxamine maleate are as following: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 13; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 34.06 Å²; (13)Flash Point: 177.9 °C; (14)Enthalpy of Vaporization: 61.75 kJ/mol; (15)Boiling Point: 370.6 °C at 760 mmHg; (16)Vapour Pressure: 1.1E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Take off immediately all contaminated clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(\C(=N\OCCN)CCCCOC)cc1.O=C(O)\C=C/C(=O)O
(2)InChI: InChI=1/C15H21F3N2O2.C4H4O4/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18;5-3(6)1-2-4(7)8/h5-8H,2-4,9-11,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b20-14+;2-1-
(3)InChIKey: LFMYNZPAVPMEGP-PIDGMYBPBW

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	oral	> 464mg/kg (464mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 42, Pg. 395, 2000.
human	TDLo	oral	64286ug/kg (64.286mg/kg)	BEHAVIORAL: WAKEFULNESS BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Journal of International Medical Research. Vol. 21, Pg. 197, 1993.
man	TDLo	oral	175mg/kg/13W- (175mg/kg)	BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Journal of the American Academy of Child and Adolescent Psychiatry. Vol. 38, Pg. 942, 1999.
mouse	LD50	oral	1100mg/kg (1100mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA	Journal of International Medical Research. Vol. 21, Pg. 197, 1993.
rat	LDLo	oral	1500mg/kg (1500mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 4149, 1994.
women	TDLo	oral	10mg/kg (10mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING GASTROINTESTINAL: OTHER CHANGES	Medical Toxicology. Vol. 1, Pg. 411, 1986.