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| Name |
14-Dehydrobrowniine |
EINECS | N/A |
| CAS No. | 4829-56-5 | Density | 1.31g/cm3 |
| PSA | 97.69000 | LogP | 0.41710 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C25H39NO7 | Boiling Point | 574.7°C at 760 mmHg |
| Molecular Weight | 465.65 | Flash Point | 301.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
14-Dehydro-browniin;Dehydrobrowniin;10-Dehydro-browniin; |
14-Dehydrobrowniine Chemical Properties
Product Name: 14-Dehydrobrowniine
CAS Registry Number: 4829-56-5
Synonyms: 14-Dehydrobrowniine ; Dehydrobrowniine
Systematic Name: Aconitan-14-one, 20-ethyl-7,8-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-, (1alpha,6beta,16beta)- ; Aconitan-14-one, 7,8-dihydroxy-20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,6-beta,16-beta)-
Molecular Weight: 465.57966 [g/mol]
Molecular Formula: C25H39NO7
XLogP3-AA: -0.7
H-Bond Donor: 2
H-Bond Acceptor: 8
Surface Tension: 56.3 dyne/cm
Density: 1.31 g/cm3
Flash Point: 301.4 °C
Enthalpy of Vaporization: 98.88 kJ/mol
Boiling Point: 574.7 °C at 760 mmHg
Vapour Pressure: 1.33E-15 mmHg at 25°C
Following is the molecular structure of 14-Dehydrobrowniine (CAS NO.4829-56-5) is:
14-Dehydrobrowniine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | > 254mg/kg (254mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 41, Pg. 96, 1993. |
14-Dehydrobrowniine Safety Profile
A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx.
14-Dehydrobrowniine Specification
Descriptors computed from structure, you can know some information about 14-Dehydrobrowniine (CAS NO.4829-56-5) :
Canonical SMILES: CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6=O)OC)O)O)OC)OC)COC
InChI: InChI=1S/C25H39NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-17,19-21,28-29H,6-12H2,1-5H3
InChIKey: MWOQLGAENOKSHS-UHFFFAOYSA-N
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