DIGITOXIGENIN Property

Melting point:

253-255 °C (dec.)(lit.)

alpha 

D17 +19.1° (c = 1.36 in methanol)

Boiling point:

423.5°C (rough estimate)

Density 

1.0284 (rough estimate)

refractive index 

1.4433 (estimate)

storage temp. 

Store at -20°C

solubility 

DMF: 25 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 20 mg/ml; Ethanol: 5 mg/ml

pka

14.93±0.70(Predicted)

form 

powder to crystal

color 

White to Almost white

Water Solubility 

11.24mg/L(30 ºC)

Merck 

14,3162

BRN 

95448

Stability:

Hygroscopic

LogP

2.640

CAS DataBase Reference

143-62-4(CAS DataBase Reference)

Safety

Hazard Codes 

T

Risk Statements 

25

Safety Statements 

45

RIDADR 

UN 3462 6.1/PG 2

WGK Germany 

3

RTECS 

FH4975000

HS Code 

2938.90.0000

HazardClass 

6.1(a)

PackingGroup 

II

Toxicity

cat,LDLo,intravenous,254ug/kg (0.254mg/kg),GASTROINTESTINAL: NAUSEA OR VOMITING,Journal of the American Pharmaceutical Association. Vol. 27, Pg. 189, 1938.

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H300Fatal if swallowed

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P405Store locked up.

P501Dispose of contents/container to..…

DIGITOXIGENIN Chemical Properties,Usage,Production

Uses

Cardiotonic;Na+ K+ ATPase inhibitor

Definition

ChEBI: Digitoxigenin is a 5beta-cardenolide that is 5beta-cardanolide with hydroxy substituents at the 3beta- and 14beta-positions and double bond unsaturation at C(20)-C(22). It is a 3beta-hydroxy steroid and a 14beta-hydroxy steroid. It derives from a hydride of a 5beta-cardanolide.

Purification Methods

Dissolve digitoxigenin in EtOAc, wash it with H2O, dry it (Na2SO4), evaporate and recrystallise it from 40% aqueous EtOH or aqueous MeOH then EtOAc/Et2O. The UV has max at 218nm ( 14,500 M-1cm-1). The 3-acetate crystallises from Me2CO/Et2O with m 222-227o, [] D 20 +21o (c 1, CHCl3). [Wyss et al. Helv Chim Acta 43 644 1960, Cruz et al. J Org Chem 4 2 3580 1977, Beilstein 18 IV 1468.]