CAS No.17388-39-5,Swertiamarine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17388-39-5
Name:	Swertiamarine
Article Data:	1

Formula:	C₁₆H₂₂O₁₀
Molecular Weight:	374.345
Synonyms:	1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-6-(b-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-4a-hydroxy-,[4aR-(4aa,5b,6a)]-;Swertiamarin (6CI,7CI,8CI);Swertiamaroside;swertiamarin;
Density:	1.57 g/cm³
Melting Point:	111oC
Boiling Point:	649.3 °C at 760 mmHg
Flash Point:	237.7 °C
Appearance:	white powder
Hazard Symbols:	C
Risk Codes:	R23; R34
Safety:	24/25
PSA:	155.14000
LogP:	-2.47670

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Chemistry

IUPAC Name: (4aR,5R,6S)-5-Ethenyl-4a-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-1-one
Molecular Formula: C₁₆H₂₂O₁₀
Molecular Weight: 374.34
Density: 1.57 g/cm³
Melting Point: 111°C
Flash Point: 237.7°C
Boiling Point: 649.3°C at 760 mmHg
LogP: ACD/LogP: -3.15
XLogP: -1.90
ACD/LogD (pH 5.5): -3.15
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 10
H bond donors: 5
Freely Rotating Bonds: 9
Index of Refraction: 1.625
Molar Refractivity: 84.06 cm³
Molar Volume: 237.5 cm³
Surface Tension: 79.3 dyne/cm
Enthalpy of Vaporization: 109.62 kJ/mol
The molecular structure of Swertiamarin (CAS NO. 17388-39-5):

Uses

Swertiamarin (CAS NO. 17388-39-5) is often blended in general gastroenteric drugs as a bitter stomachic.This product is on isolated rat duodenum, uterus, gallbladder and bile duct sphincter muscle of the autonomous rhythmic activity were inhibited, and can fight against acetylcholine, norepinephrine and other excitatory effect on these organs. Clinical application proved that the product of the gastrointestinal tract, biliary tract spasm of smooth muscle spasm pain has obvious analgesic effect, there is a certain sedative effect, and no allergic and irritant.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 8gm/kg (8000mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 13, Pg. 464, 1982.
mouse	LD50	intravenous	> 5gm/kg (5000mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 13, Pg. 464, 1982.
mouse	LD50	oral	> 10gm/kg (10000mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 13, Pg. 464, 1982.

Specification

Swertiamarin with cas registry number of 17388-39-5 is also called for (4aR-(4a-alpha,5-beta,6-alpha))-Ranosyloxy)-4a-hydroxy ; 1H,3H-Pyrano(3,4-c)pyran-1-one,4,4a,5,6-tetrahydro-5-ethenyl-6-(beta-d-glucopy) ; 3H-Pyrano[3,4-c]pyran-1-one,4,4.alpha.,5,6-tetrahydro-5-ethenyl-6-(.beta.-D-glucopyranosyloxy) ; Swertiamarin(6CI,7CI,8CI) ; Swertiamaroside ; MLS002473253 ; MEGxp0_000871 ; ACon1_000546 ; CID442435 ; ZINC04098354 ; NCGC00168975-01 ; SMR001397340 ; TL8001379 . The appearance of Swertiamarin (CAS NO. 17388-39-5) is white powder which is soluble in methanol , ethanol , slightly soluble in water , not soluble in chloroform , petroleum ether .

Treatment of Swertiamarin in Wastewater, see as follows :
Total removal:                  1.85 percent
Total biodegradation:        0.09 percent
Total sludge adsorption:    1.75 percent
Total to Air:                     0.00 percent
(using 10000 hr Bio P,A,S)