- Solanin hydrochloride
- SOLANIN
- SOLANINE
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| Name |
Solanin hydrochloride |
EINECS | N/A |
| CAS No. | 40816-40-8 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C45H73NO15•ClH | Boiling Point | N/A |
| Molecular Weight | 904.65 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and HCl. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Solanin hydrochloride Chemical Properties
Molecule structure of Solanin hydrochloride (CAS NO.40816-40-8) :
Molecular Weight: 904.51976 g/mol
Molecular Formula: C45H74ClNO15
H-Bond Donor: 10
H-Bond Acceptor: 16
Rotatable Bond Count: 8
Exact Mass: 903.474698
MonoIsotopic Mass; 903.474698
Topological Polar Surface Area: 241
Heavy Atom Count: 62
Complexity: 1590
Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)C)O)O)O)O)C)C)C.Cl
InChI: InChI=1S/C45H73NO15.ClH/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-42-38(55)39(34(51)30(18-48)58-42)60-43-40(36(53)33(50)29(17-47)
9-43)61-41-37(54)35(52)32(49)21(3)56-41;/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3;1H
InChIKey: XWCOYBXZFSODJT-UHFFFAOYSA-N
EINECS of Solanin hydrochloride (CAS NO.40816-40-8) : 255-091-1
Solanin hydrochloride Toxicity Data With Reference
| 1. | ipr-mus LD50:42 mg/kg | MEIEDD Merck Index. 10 (1983),1244. |
Solanin hydrochloride Safety Profile
Poison by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and HCl.
Solanin hydrochloride Specification
Solanin hydrochloride (CAS NO.40816-40-8) is also called Solanine HCl ; Solanine hydrochloride ; beta-D-Galactopyranoside, (3-beta)-solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-
(1-3))-, hydrochloride .
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