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k-Strophanthin

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Name

k-Strophanthin

EINECS 234-239-9
CAS No. 11005-63-3 Density 1.42g/cm3
Solubility Melting Point
Formula Boiling Point 877.1°C at 760 mmHg
Molecular Weight 710.90 Flash Point 270.1°C
Transport Information Appearance
Safety Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes
Molecular Structure Molecular Structure of 11005-63-3 (Strophanthin) Hazard Symbols 3
Synonyms

k-Strophanthin(8CI);

 

k-Strophanthin Specification

k-Strophanthin, its cas register number is 11005-63-3. It also can be called Strophanthin K; Kombe-strophanthin; and Strophanthin. k-Strophanthidin is a cardenolide found in species of the genus Strophanthus. It is the aglycone of k-strophanthin, an analogue of ouabain. k-strophanthin is found in the ripe seeds of Strophanthus kombé and in the lily Convallaria. It is white or yellowish powder contg as much as 10% water, which it does not lose entirely without decompn.

Physical properties about k-Strophanthin are: (1)ACD/LogP: -1.83; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.83; (4)ACD/LogD (pH 7.4): -1.83; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.41; (8)ACD/KOC (pH 7.4): 2.41; (9)#H bond acceptors: 14; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 14; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 174 cm3; (14)Molar Volume: 499.491 cm3; (15)Polarizability: 68.979 10-24cm3; (16)Surface Tension: 70.3649978637695 dyne/cm; (17)Density: 1.423 g/cm3; (18)Flash Point: 270.106 °C ; (19)Enthalpy of Vaporization: 144.813 kJ/mol; (20)Boiling Point: 877.07 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)InChI=1S/C37H56O13/c1-19-33(50-26-12-20(16-38)30(41)32(43)31(26)42)27(46-3)14-29(48-19)49-22-4-9-35(18-39)24-5-8-34(2)23(21-13-28(40)47-17-21)7-11-37(34,45)25(24)6-10-36(35,44)15-22/h13,18-20,22-27,29-33,38,41-45H,4-12,14-17H2,1-3H3/t19-,20+,22?,23?,24?,25?,26+,27-,29+,30+,31-,32-,33?,34?,35?,36?,37-/m1/s1;
(2)InChIKey=ICLVTBHPYDRXBN-MAXQWQMNSA-N;
(3)SmilesC1[C@H]([C@@H]([C@H]([C@@H](O)[C@H]1O[C@@H]1[C@H](O[C@H](C[C@H]1OC)O[C@@H]1CC[C@@]2(C=O)[C@@](O)(C1)CC[C@@H]1[C@@H]2CC[C@@]2([C@@]1(CC[C@@H]2C=1COC(C1)=O)O)C)C)O)O)CO;

The toxicity data of k-Strophanthin is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 110ug/kg (.11mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 184, Pg. 181, 1937.
frog LD50 intravenous 690ug/kg (.69mg/kg)   Compilation of LD50 Values of New Drugs.
frog LD50 oral 16500ug/kg (16.5mg/kg)   Japanese Journal of Pharmacology. Vol. 9, Pg. 91, 1960.
 
frog LD50 subcutaneous 440ug/kg (.44mg/kg)   Japanese Journal of Pharmacology. Vol. 9, Pg. 91, 1960.
 
guinea pig LD50 intravenous 270ug/kg (.27mg/kg)   Compilation of LD50 Values of New Drugs.
mammal (species unspecified) LD50 unreported 2450ug/kg (2.45mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(4), Pg. 42, 1990.
mammal (species unspecified) LDLo intravenous 222ug/kg (.222mg/kg)   Acta Pharmaceutica Jugoslavica. Vol. 24, Pg. 179, 1974.
mouse LD50 intraperitoneal 2400ug/kg (2.4mg/kg)   Strahlentherapie. Vol. 127, Pg. 245, 1965.
 
mouse LD50 intravenous 1750ug/kg (1.75mg/kg)   Farmakologiya i Toksikologiya Vol. 38, Pg. 311, 1975.
 
mouse LD50 subcutaneous 2mg/kg (2mg/kg)   Farmakologiya i Toksikologiya Vol. 28, Pg. 46, 1965.
 
pigeon LDLo oral 40mg/kg (40mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
pigeon LDLo subcutaneous 600ug/kg (.6mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
rabbit LDLo intravenous 200ug/kg (.2mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 185, Pg. 329, 1937.
rabbit LDLo oral 20mg/kg (20mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
rabbit LDLo subcutaneous 250ug/kg (.25mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
rat LD50 intravenous 7mg/kg (7mg/kg)   Archives of Toxicology. Vol. 54, Pg. 275, 1983.
 
rat LDLo subcutaneous 50mg/kg (50mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.

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