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CAS No.: | 10310-32-4 |
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Name: | Tribenoside |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C29H34O6 |
Molecular Weight: | 478.585 |
Synonyms: | Glucofuranoside,ethyl 3,5,6-tri-O-benzyl- (7CI);Glucofuranoside, ethyl-3,5,6-tri-o-benzyl-, D-;Alven;Ba 21401;Ethyl 3,5,6-tri-O-benzyl-D-glucofuranoside;Flebosan;Glyvenal;Glyvenol;Hemocuron;TBGF;Tribenzoside;Venex; |
EINECS: | 233-687-2 |
Density: | 1.196 g/cm3 |
Boiling Point: | 618.877 °C at 760 mmHg |
Flash Point: | 328.085 °C |
PSA: | 66.38000 |
LogP: | 4.49630 |
1,2-O-isopropylidene-α-D-gluco-/β-L-idofuranose
benzyl chloride
tribenoside
Conditions | Yield |
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Stage #1: 1,2-O-isopropylidene-α-D-gluco-/β-L-idofuranose In dimethyl sulfoxide at 30℃; for 1h; Stage #2: benzyl chloride In dimethyl sulfoxide at 30℃; for 1h; Temperature; |
The Tribenoside, with the CAS registry number 10310-32-4, is also known as Glucofuranoside, ethyl-3,5,6-tri-o-benzyl-, D-. Its EINECS number is 233-687-2. This chemical's molecular formula is C29H34O6 and molecular weight is 478.58. What's more, its systematic name is Ethyl 3,5,6-tri-O-benzyl-D-glucofuranoside. Its classification codes are: (1)Analgesics; (2)Analgesics, Non-Narcotic; (3)Anti-Inflammatory Agents; (4)Anti-inflammatory agents, non-steroidal; (5)Antirheumatic Agents; (6)Drug / Therapeutic Agent; (7)Peripheral Nervous System Agents; (8)Sclerosing agent; (9)Sensory System Agents. This chemical is an anti-inflammatory agent used in edema of extremities, varicose veins and phlebitis. It is used in the manufacture of pesticides, pharmaceuticals and other chemical products.
Physical properties of Tribenoside are: (1)ACD/LogP: 4.115; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.12; (4)ACD/LogD (pH 7.4): 4.12; (5)ACD/BCF (pH 5.5): 789.06; (6)ACD/BCF (pH 7.4): 789.06; (7)ACD/KOC (pH 5.5): 4124.33; (8)ACD/KOC (pH 7.4): 4124.32; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 66.38 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 135.202 cm3; (15)Molar Volume: 400.255 cm3; (16)Polarizability: 53.598×10-24cm3; (17)Surface Tension: 51.29 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 328.085 °C; (20)Enthalpy of Vaporization: 96.452 kJ/mol; (21)Boiling Point: 618.877 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]2[C@@H](OCc1ccccc1)[C@H](OC2OCC)[C@H](OCc3ccccc3)COCc4ccccc4
(2)Std. InChI: InChI=1S/C29H34O6/c1-2-32-29-26(30)28(34-20-24-16-10-5-11-17-24)27(35-29)25(33-19-23-14-8-4-9-15-23)21-31-18-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3/t25-,26-,27-,28-,29?/m1/s1
(3)Std. InChIKey: ULLNJSBQMBKOJH-VIVFLBMVSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | intraperitoneal | 3300mg/kg (3300mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2748, 1974. | |
mouse | LD50 | oral | > 30gm/kg (30000mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2748, 1974. | |
mouse | LD50 | subcutaneous | > 30gm/kg (30000mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2748, 1974. | |
rat | LD50 | intraperitoneal | 2600mg/kg (2600mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2748, 1974. | |
rat | LD50 | oral | > 20gm/kg (20000mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2748, 1974. | |
rat | LD50 | subcutaneous | > 20gm/kg (20000mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2748, 1974. |