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n-Butyl-k-strophanthidin

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Name

n-Butyl-k-strophanthidin

EINECS
CAS No. 63979-65-7 Density 1.27g/cm3
Solubility Melting Point
Formula C27H38 O7 Boiling Point 630°Cat760mmHg
Molecular Weight 474.65 Flash Point 206.9°C
Transport Information Appearance
Safety Deadly poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes
Molecular Structure Molecular Structure of 63979-65-7 (Card-20(22)-enolide,5,14-dihydroxy-19-oxo-3-(1-oxobutoxy)-, (3b,5b)- (9CI)) Hazard Symbols
Synonyms

Butyricacid, strophanthidin ester (4CI)

 

n-Butyl-k-strophanthidin Chemical Properties

IUPAC Name: [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-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]phenanthren-3-yl] butanoate 
Empirical Formula: C27H38O7
Molecular Weight: 474.5864g/mol 
Index of Refraction: 1.579
Molar Refractivity: 123.61 cm3
Molar Volume: 371.4 cm3
Polarizability: 49×10-24cm3
Surface Tension: 56.6 dyne/cm
Density: 1.27 g/cm3
Flash Point: 206.9 °C
Enthalpy of Vaporization: 106.8 kJ/mol
Boiling Point: 630 °C at 760 mmHg
Vapour Pressure: 1.63E-18 mmHg at 25°C
Canonical SMILES: CCCC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O
Isomeric SMILES: CCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CC[C@@]4(C3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O
InChI: InChI=1S/C27H38O7/c1-3-4-22(29)34-18-5-10-25(16-28)20-6-9-24(2)19(17-13-23(30)33-15-17)8-12-27(24,32)21(20)7-11-26(25,31)14-18/h13,16,18-21,31-32H,3-12,14-15H2,1-2H3/t18-,19+,20?,21?,24+,25-,26-,27-/m0/s1
InChIKey: HZBREJKEAKBQLC-RHEGXVRHSA-N
Structure of n-Butyl-k-strophanthidin (CAS NO.63979-65-7):

n-Butyl-k-strophanthidin Toxicity Data With Reference

1.    

ivn-cat LDLo:350 µg/kg

    AEPPAE    Naunyn-Schmiedeberg’s Archiv fuer Experimentelle Pathologie und Pharmakologie. 185 (1937),329.
2.    

ivn-rat LDLo:500 µg/kg

    AEPPAE    Naunyn-Schmiedeberg’s Archiv fuer Experimentelle Pathologie und Pharmakologie. 185 (1937),329.

n-Butyl-k-strophanthidin Safety Profile

Deadly poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating fumes.

n-Butyl-k-strophanthidin Specification

  n-Butyl-k-strophanthidin , its cas register number is 63979-65-7. It also can be called (3-beta,5-beta)-5,14-Dihydroxy-19-oxo-3-(1-oxobutoxy)card-20(22)-enolide ; 4-18-00-03131 (Beilstein Handbook Reference) ; 5-beta-Card-20(22)-enolide, 19-oxo-3-beta,5,14-trihydroxy-, 3-butyrate ; BRN 0066761 ; Card-20(22)-enolide, 5,14-dihydroxy-19-oxo-3-(1-oxobutoxy)-, (3-beta,5-beta)- ; Strophanthidin-3-n-butyrate ; k-Strophanthidin, n-butyl- . When  n-Butyl-k-strophanthidin (CAS NO.63979-65-7) is heated to decomposition, it emits acrid smoke and irritating fumes.

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