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| CAS No.: | 481-49-2 |
|---|---|
| Name: | Cepharanthine |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C37H38N2O6 |
| Molecular Weight: | 606.719 |
| Synonyms: | Cepharanthine(6CI,7CI,8CI);Oxyacanthan,6',12'-dimethoxy-2,2'-dimethyl-6,7-[methylenebis(oxy)]-;(+)-Cepharanthine;1H-4,6:16,19-Dietheno-21,25-metheno-12H-[1,3]dioxolo[4,5-g]pyrido[2',3':17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline,2,3,13,14,14a,15,26,26a-octahydro-22,30-dimethoxy-1,14-dimethyl-,[14aS-(14aR*,26aS*)]-;Cepharantin;NSC 623442;O-Methylcepharanoline; |
| Density: | 1.227 g/cm3 |
| Melting Point: | 140 - 145oC |
| Boiling Point: | 654.03°C (rough estimate) |
| Appearance: | Yellow powder. |
| PSA: | 61.86000 |
| LogP: | 6.74970 |
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Specification
The Cepharanthine, with the CAS registry number 481-49-2, has the systematic name 6',12'-Dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthan. Its product categories are Herbs; Alkaloidsand and its classification codes are Analgesics; Analgesics, Non-Narcotic; Anti-Inflammatory Agents; Anti-inflammatory agents, non-steroidal; Antineoplastic Agents; Antineoplastic agents, phytogenic; Antirheumatic Agents; Drug / Therapeutic Agent; Peripheral Nervous System Agents; Protective Agents; Radiation-Protective Agents; Reproductive Effect; Sensory System Agents. For it's soluble in acidic aqueous solution and ethyl ether, acetone and other organic solvents, insoluble in petroleum ether, keep it tightly sealed in cool and dry place with light brown glass bottles and avoid it contact with oxides. Moreover, it could be made from the stephania powder.
Other characteristics of the Cepharanthine can be summarised as followings: (1)ACD/LogP: 5.23; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 4.57; (5)ACD/BCF (pH 5.5): 1.26; (6)ACD/BCF (pH 7.4): 1216.3; (7)ACD/KOC (pH 5.5): 3.79; (8)ACD/KOC (pH 7.4): 3652.59; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.86 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 170.93 cm3; (15)Molar Volume: 494.2 cm3; (16)Polarizability: 67.76×10-24cm3; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.227 g/cm3.
Uses of the Cepharanthine: It's an isoquinoline alkaloid from tubers of stephania and it has stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation. Popular chemicals glycerol is also made from this chemical.
You can still convert the following datas into molecular structure:
1.SMILES: O4c1c(OC)cc2c(c1)[C@H](N(C)CC2)Cc8ccc(OC)c(Oc3ccc(cc3)C[C@H]7c6c4c5OCOc5cc6CCN7C)c8
2.InChI: InChI=1/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1
3.InChIKey: YVPXVXANRNDGTA-WDYNHAJCBM
The toxicity data is as follows:
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