CAS No.6483-15-4,Sophocarpine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6483-15-4
Name:	Sophocarpine
Article Data:	7

Formula:	C₁₅H₂₂N₂O
Molecular Weight:	246.352
Synonyms:	Matridin-15-one,13,14-didehydro-;Sophocarpine (6CI,7CI,8CI);(-)-Sophocarpine;13,14-Dehydromatrine;13,14-Didehydromatrine;1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one,2,3,6,7,7a,8,13,13a,13b,13c-decahydro-, [7aS-(7aa,13ab,13ba,13ca)]-;
Density:	1.19 g/cm³
Melting Point:	54～55℃
Boiling Point:	425.4 °C at 760 mmHg
Flash Point:	194 °C
PSA:	23.55000
LogP:	1.52350

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Specification

The Sophocarpine is an organic compound with the formula C₁₅H₂₂N₂O. The systematic name of this chemical is 13,14-didehydromatridin-15-one. With the CAS registry number 6483-15-4, it is also named as Matridin-15-one, 13,14-didehydro-. The product's category is Alkaloids.

Physical properties about Sophocarpine are: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): -1.67; (3)ACD/LogD (pH 7.4): -0.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.38; (8)#H bond acceptors: 3; (9)Polar Surface Area: 23.55 Å²; (10)Index of Refraction: 1.603; (11)Molar Refractivity: 71.03 cm³; (12)Molar Volume: 206.6 cm³; (13)Polarizability: 28.15×10^-24cm³; (14)Surface Tension: 50.2 dyne/cm; (15)Density: 1.19 g/cm³; (16)Flash Point: 194 °C; (17)Enthalpy of Vaporization: 68 kJ/mol; (18)Boiling Point: 425.4 °C at 760 mmHg; (19)Vapour Pressure: 1.92E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\4N1[C@@H]([C@H]3CCCN2CCC[C@@H](C1)[C@H]23)C/C=C/4
(2)InChI: InChI=1/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1
(3)InChIKey: AAGFPTSOPGCENQ-JLNYLFASBY
(4)Std. InChI: InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1
(5)Std. InChIKey: AAGFPTSOPGCENQ-JLNYLFASSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intramuscular	92410ug/kg (92.41mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 11, Pg. 555, 1980.
mouse	LD50	intravenous	72mg/kg (72mg/kg)		Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 27, Pg. 201, 1992.
mouse	LD50	oral	242mg/kg (242mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 11, Pg. 555, 1980.
rat	LD50	intraperitoneal	124mg/kg (124mg/kg)		Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 27, Pg. 201, 1992.
rat	LD50	oral	196mg/kg (196mg/kg)		Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 27, Pg. 201, 1992.