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| CAS No.: | 70553-76-3 |
|---|---|
| Name: | Daurisoline |
| Molecular Structure: | |
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| Formula: | C37H42N2O6 |
| Molecular Weight: | 610.75 |
| Synonyms: | O(sup 7)-Demethyldauricine;7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxy-3-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methoxy-2-methyl-, (R-(R*,R*))-;(R,R)-Daurisoline; Daurisoline;(-)-Daurisoline; |
| EINECS: | 683-239-9 |
| Density: | 1.218 g/cm3 |
| Melting Point: | 96-102oC |
| Boiling Point: | 724.5 °C at 760 mmHg |
| Flash Point: | 392 °C |
| Appearance: | Light yellow powder |
| Safety: | 24/25 |
| PSA: | 83.86000 |
| LogP: | 6.33510 |
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Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 1250ug/kg (1.25mg/kg) | Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 14, Pg. 439, 1979. |
Specification
The Daurisoline with the cas number 70553-76-3，is also called O(sup 7)-Demethyldauricine .The product category of the chemical is Alkaloids.This chemical should be stored at 2-8C, dry place and avoided light.This product can be supplied by the following suppliers:(1)Shanghai Standard Biotech Co., Ltd. ; (2)Shanghai Zhanshu Chemical Technology Co., Ltd.; (3)Apin Chemicals Limited (UK).
The properties of this chemical are: (1)#H bond acceptors: 8 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 11 ; (4)Polar Surface Area: 61.86Å2 ; (5)Index of Refraction: 1.618 ; (6)Molar Refractivity: 175.72 cm3 ; (7)Molar Volume: 501.2 cm3 ; (8)Polarizability: 69.66×10-24cm3 ; (9)Surface Tension: 50.2 dyne/cm ; (10)Enthalpy of Vaporization: 109.57 kJ/mol ; (11)Vapour Pressure: 1.08×10-21 mmHg at 25°C .
You can still convert the following datas into molecular structure :
1.c12[C@@H](Cc3ccc(Oc4cc(C[C@@H]5c6c(cc(OC)c(c6)O)CC[N@@]5C)ccc4O)cc3)[N@@](CCc1cc(OC)c(c2)OC)C
2.InChI=1/C37H42N2O6/c1-38-15-13-26-20-36(43-4)37(44-5)22-29(26)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-28-21-33(41)34(42-3)19-25(28)12-14-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1