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| CAS No.: | 17388-39-5 |
|---|---|
| Name: | Swertiamarine |
| Molecular Structure: | |
|
|
|
| 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)