CAS No.5949-16-6,CINCHONINE SULFATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5949-16-6
Name:	CINCHONINE SULFATE

Formula:	C₃₈H₄₆N₄O₆S
Molecular Weight:	392.46
Synonyms:	Cinchonan-9-ol, (9S)-, sulfate (2:1) (salt);(5E)-1-(4-chlorophenyl)-5-[(3,5-dichloro-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;(5-ethenyl-1-azoniabicyclo[2.2.2]oct-7-yl)-quinolin-4-yl-methanol sulfate;CINCHONINE, SULFATE (2:1) (salt);Cinchonine sulfate;
EINECS:	227-708-4
Density:	1.61g/cm3
Melting Point:	38-40°C(lit.)
Boiling Point:	464.5 °C at 760 mmHg
Flash Point:	234.7 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
Transport Information:	1544
PSA:	155.70000
LogP:	6.63300

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Specification

This chemical is called Cinchonine sulphate, and its CAS registry number is 5949-16-6. With the molecular formula of C₃₈H₄₆N₄O₆S, its product categories are Alkaloids; Biochemistry; for Resolution of Acids; Optical Resolution; Quinoline Alkaloids; Quinolinecarboxylic Acids, etc. In addition, this chemical should be sealed in the cool and dry place.

Other characteristics of the Cinchonine sulphate can be summarised as followings: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.66; (7)ACD/KOC (pH 5.5): 1.31; (8)ACD/KOC (pH 7.4): 20.37; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 22.12 Å²; (13)Flash Point: 234.7 °C; (14)Enthalpy of Vaporization: 76.48 kJ/mol; (15)Boiling Point: 464.5 °C at 760 mmHg; (16)Vapour Pressure: 1.99E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: [O-]S([O-])(=O)=O.OC(c1c2c(ncc1)cccc2)C4[NH+]3CC(\C=C)C(CC3)C4.OC(c1c2ccccc2ncc1)C4[NH+]3CC(\C=C)C(CC3)C4
2.InChI: InChI=1/2C19H22N2O.H2O4S/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)
3.InChIKey: WBBHOISPYYYBTC-UHFFFAOYAD

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	oral	800mg/kg (800mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 78, Pg. 159, 1943.