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Deoxyaconitine - 98%, high purity , CAS No.3175-95-9
Basic Description
| Specifications & Purity | ≥98% |
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| Biochemical and Physiological Mechanisms | 3-Deoxyaconitine is a diterpenoid alkaloid isolated from the root of Aconitum Carmichaeli Debx. |
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| Storage Temp | Protected from light,Store at -20°C |
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| Shipped In | Ice chest + Ice pads |
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| Product Description | Information 3-Deoxyaconitine is a diterpenoid alkaloid isolated from the root ofAconitum Carmichaeli Debx. |
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Product Properties
| ALogP | 0.247 |
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| HBD Count | 1 |
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| Rotatable Bond | 11 |
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Associated Targets(Human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 488199890 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488199890 |
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| IUPAC Name | [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate |
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| INCHI | InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1 |
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| InChi Key | PHASMOUKYDUAOZ-IXLJIIPOSA-N |
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| Canonical SMILES | CCN1CC2(CCC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)COC |
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| Isomeric SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)COC |
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| PubChem CID | 21598997 |
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| Molecular Weight | 629.74 |
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Chemical and Physical Properties
| Solubility | Solubility (25°C) In vitro DMSO: 100 mg/mL (158.79 mM); Soluble in DMSO |
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| Sensitivity | Light sensitive |
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| DMSO(mg / mL) Max Solubility | 100 |
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| DMSO(mM) Max Solubility | 158.795693460793 |
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| Water(mg / mL) Max Solubility | -1 |
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