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3261-53-8

Basic Information
CAS No.: 3261-53-8
Name: gitaloxin
Molecular Structure:
Molecular Structure of 3261-53-8 (gitaloxin)
Formula: C42H64 O15
Molecular Weight: 808.961
Synonyms: Gitoxin,16-formate (6CI,7CI,8CI); 16-Formylgitoxin; Cristaloxine; Gitaloxin;Gitoxigenin tridigitoxoside 16-formate
Density: 1.36g/cm3
Boiling Point: 931°Cat760mmHg
Flash Point: 275.9°C
Safety: A deadly poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 209.13000
LogP: 3.03470
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Chemistry

IUPAC Name: [3-[5-[5-(4,5-Dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate 
Molecular Formula: C42H64O15
Molecular Weight: 809.06g/mol
EINECS: 221-864-7
Density: 1.36g/cm3
Melting Point: 250–253°C
Boiling Point: 931°C at 760mmHg
Flash Point: 275.9°C
Properties: crystals from Me2CO/pet ether. 
Freely Rotating Bonds: 14
Polar Surface Area: 154.13Å2
Index of Refraction: 1.594
Molar Refractivity: 201.56 cm3
Molar Volume: 593.8 cm3
Polarizability: 79.9 ×10-24 cm3
Surface Tension: 63.2 dyne/cm
Enthalpy of Vaporization: 153.67 kJ/mol
Vapour Pressure: 0 mmHg at 25°C 
 The Cas Register Number of Gitaloxin is 3261-53-8.The chemical synonyms of Gitaloxin (CAS NO.3261-53-8) are 3-{[2,6-dideoxyhexopyranosyl-(1-4)-2,6-dideoxyhexopyranosyl-(1-4)-2,6-dideoxyhexopyranosyl]oxy}-16-(formyloxy)-14-hydroxycard-20(22)-enolide ; card-20(22)-enolide, 3-[[O--2,6-dideoxyhexopyranosyl-(1-4)-O--2,6-dideoxyhexopyranosyl-(1-4)-2,6-dideoxyhexopyranosyl]oxy]-16-(formyloxy)-14-hydroxy- ; 16-Formyl-gitoxin ; Cristaloxine ; Gitaloxigenin-tridigitoxosid ; Gitaloxin ; Gitaloxina ; Gitoxigenin tridigitoxoxide-16-formate ; Gitoxin 16-formate .The molecular structure of Gitaloxin (CAS NO.3261-53-8) is.

Uses

  Gitaloxin (CAS NO.3261-53-8) is used as cardiac tonic .

Toxicity Data With Reference

1.    

orl-mus LD50:2870 µg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 153 (1965),436.
2.    

scu-mus LD50:2830 µg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 153 (1965),436.
3.    

ivn-cat LDLo:900 µg/kg

    JMPCAS    Journal of Medicinal and Pharmaceutical Chemistry. 5 (1962),988.
4.    

orl-gpg LDLo:2455 µg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 153 (1965),436.
5.    

ivn-gpg LDLo:982 µg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 153 (1965),436.

Safety Profile

A deadly poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes.