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5511-98-8

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Basic Information
CAS No.: 5511-98-8
Name: ALPHA-ACETYLDIGOXIN
Article Data: 4
Molecular Structure:
Molecular Structure of 5511-98-8 (ALPHA-ACETYLDIGOXIN)
Formula: C43H66 O15
Molecular Weight: 822.988
Synonyms: Digoxin,3'''-acetate (8CI); Digoxin, acetyl- (6CI); 3'''-Acetyldigoxin;Desglucolanatoside C; Digoxin, a-acetate; Digoxin, a-acetyl-; Lanatilin; a-Acetyldigoxin
Density: 1.35g/cm3
Melting Point: 199-201°C
Boiling Point: 935.6°Cat760mmHg
Flash Point: 275.4°C
Safety: Deadly poison by ingestion, intravenous, and intraduodenal routes. When heated to decomposition it emits acrid smoke and fumes. See also DIGITOXIN.
PSA: 209.13000
LogP: 2.78890
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Chemistry

Product Name: Acetyldigoxin-α (CAS NO.5511-98-8)


Molecular Formula: C43H66O15
Molecular Weight: 822.98g/mol
Mol File: 5511-98-8.mol
Einecs: 226-855-1
Boiling point: 930.3 °C at 760 mmHg
Flash Point: 273.6 °C
Density: 1.34 g/cm3
Surface Tension: 62 dyne/cm
Enthalpy of Vaporization: 153.55 kJ/mol
XLogP3: 1.8
H-Bond Donor: 5
H-Bond Acceptor: 15
Rotatable Bond Count: 9
Topological Polar Surface Area: 209
Heavy Atom Count: 58
Complexity: 1560
Undefined Atom StereoCenter Count: 21
Covalently-Bonded Unit Count: 1

Toxicity Data With Reference

1.    

orl-cat LD50:200 µg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 159 (1966),1.
2.    

ivn-cat LD50:466 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 111 (1954),365.
3.    

idu-cat LDLo:494 µg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 20 (1970),1765.
4.    

orl-gpg LD50:3300 µg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 159 (1966),1.
5.    

ivn-gpg LDLo:1380 µg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 15 (1965),483.

Safety Profile

Deadly poison by ingestion, intravenous, and intraduodenal routes. When heated to decomposition it emits acrid smoke and fumes. See also DIGITOXIN.

Specification

 Acetyldigoxin-α ,its CAS NO. is 5511-98-8,the synonyms is 3'''-Acetyldigoxin ; Acetate,alpha-digoxi ; Acetyl-digoxin-alpha ; Desglucolanatosidec ; Digorida ; Digoxigenin+zuckerkettewiebieacetyl-digitoxina ; digoxin,3'''-acetate ; 20(22),5Beta-cardenolid-3beta,12beta,14beta-triol 3beta-2,6-dideoxy-4-o-[2,6-dideoxy-4-o-(2,6-dideoxy-beta-d-ribohexopyranosyl)-beta-d-ribohexopyranoside]15'-acetate .