Name: STROPHANTHIDIN
SKU: 66-28-4

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Basic Information

Molecular Structure:
CAS No.:	66-28-4
Name:	STROPHANTHIDIN
Article Data:	18

Formula:	C23H32 O6
Molecular Weight:	404.503
Synonyms:	5b-Card-20(22)-enolide, 3b,5,14-trihydroxy-19-oxo-(7CI,8CI); Strophanthidin (6CI); Apocymarin; Convallatoxigenin; Corchorin;Corchoside A aglycon; Corchsularin; Erysimupicrone; Erysimupikron; NSC 86078;Strophanthidin K; Strophanthidine; k-Strophanthidin
EINECS:	200-626-6
Density:	1.432 g/cm³
Melting Point:	169°C
Boiling Point:	620.7 °C at 760 mmHg
Flash Point:	214.9 °C
Hazard Symbols:	T+
Risk Codes:	26/27/28
Safety:	A deadly poison by intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes.
Transport Information:	UN 2811 6
PSA:	104.06000
LogP:	1.89820

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Chemistry

IUPAC Name: (3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-Trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
CAS: 66-28-4
EINECS: 200-626-6
Following is the Molecular Structure of K-Strophanthidine (66-28-4):

SMILES: O=C/1OCC(=C\1)\[C@@H]2[C@@]4([C@](O)(CC2)[C@@H]5CC[C@]3(O)C[C@@H](O)CC[C@]3(C=O)[C@H]5CC4)C
InChI: InChI=1/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1
InChIKey: ODJLBQGVINUMMR-HZXDTFASBJ
Std.InChI: InChI=1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1
Std.InChIKey: ODJLBQGVINUMMR-HZXDTFASSA-N
Molecular Formula: C₂₃H₃₂O₆
Molecular Weight: 404.5
Melting Point: 169℃
Boiling Point: 620.7℃ at 760mmHg
Flash Point: 214.9℃
Molar Volume: 282.3cm³
Density: 1.432g/cm³
Molar Refractivity: 106.07cm³
Surface Tension: 82.1dyne/cm
Polarizability: 42.05 10^-24cm³
Enthalpy of Vaporization: 105.46kJ/mol
Vapour Pressure: 5.25E-18mmHg at 25℃

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	intravenous	224ug/kg (0.224mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 420, 1951.
cat	LDLo	unreported	260ug/kg (0.26mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 148, Pg. 471, 1964.
guinea pig	LDLo	intravenous	240ug/kg (0.24mg/kg)	CARDIAC: CARDIOMYOPATHY INCLUDING INFARCTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 155, Pg. 251, 1965.
mammal (species unspecified)	LDLo	intravenous	526ug/kg (0.526mg/kg)		Acta Pharmaceutica Jugoslavica. Vol. 24, Pg. 179, 1974.
mouse	LD50	intracrebral	63ug/kg (0.063mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 908, 1961.
mouse	LD50	intravenous	330ug/kg (0.33mg/kg)		"CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 224, 1982.
rabbit	LDLo	intravenous	110ug/kg (0.11mg/kg)		Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 185, Pg. 329, 1937.

Safety Profile

Hazard Codes: T+ Very toxic.
Risk Statements: 26/27/28
R26/27/28: Very Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-36/37/39-45
S22: Do not breathe dust.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
RIDADR: UN 2811 6.1/PG 1
WGK: Germany 3
RTECS: FH5425000
A deadly poison by intravenous routes.

Specification

K-Strophanthidine (66-28-4),which also can be called for K-Strophanthidin ; Cymarigenen ; 5Beta,20[22]-cardenolide-19-one-3beta,5,14-triol ; 3Beta,5,14-trihydroxy-19-oxo-5beta,20[22]-cardenolide ; Strophanthidin k ; Strophanthidin ; 19-Oxo-cardogenen-(20:22)-triol-(3-beta,5,14) ; 3,5,14-Trihydroxy-19-oxo-,(3-beta,5-beta)-card-20(22)-enolid .The appropriate storage temperature of K-Strophanthidine (66-28-4) is -20℃.