Digitonin
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Digitonin
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CAS No:
11024-24-1
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Formula:
C56H92O29
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Chemical Name:
Digitonin
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Synonyms:
β-D-Galactopyranoside,(2α,3β,5α,15β,25R)-2,15-dihydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-;Digitonin;Digitogenin,3-[O-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside];Spirostan,β-D-galactopyranoside deriv.;Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran],β-D-galactopyranoside deriv.;(2α,3β,5α,15β,25R)-2,15-Dihydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside;Digitin;NSC 23471;NSC 237417;35-62-1;52781-76-7
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CAS No:
Description
white crystalline powderCrystals or white powder.
Crystals or white powder. (NTP, 1992)
Crystals or white powder. (NTP, 1992)|A glycoside obtained from Digitalis purpurea; the aglycone is digitogenin which is bound to five sugars. Digitonin solubilizes lipids, especially in membranes and is used as a tool in cellular biochemistry, and reagent for precipitating cholesterol. It has no cardiac effects.
Characteristics
454.67000
-0.62
white
1.1421 (rough estimate)
215 °C
788.4°C (rough estimate)
-52 ° (C=1, EtOH)
H2O: 10 mg/mL at 95 °C hot, clear, colorless
Store at RT.
Oral-Rat LD50 > 50 mg/kg; Oral-Mouse LDL0: 90 mg/kg
Flammable, spicy and irritating smoke emitted from the fire
D20 -54° (0.45 g in 15.8 ml methanol)
Forms soapy aqueous suspension (NTP, 1992).
Alcohols and Polyols
DIGITONIN is incompatible with strong oxidizing agents and strong acids. (NTP, 1992
Safety Information
II
6.1(a)
UN 3462 6.1/PG 3
3
23/24/25
22-28-36/37-45
IH2050050
T
The warehouse is low-temperature, ventilated and dry; stored separately from food materials
P260-P280-P284-P310
H301-H311-H330
Flash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P271, P280, P284, P301+P310, P302+P352, P304+P340, P310, P312, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 103 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Fires involving this chemical can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material under ambient temperatures. (NTP, 1992)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)
Drug Information
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)
SYMPTOMS: Symptoms of exposure to this compound include eye irritation. ACUTE/CHRONIC HAZARDS: This compound is an eye irritant. It may be absorbed through the skin. When heated to decomposition this compound emits acrid smoke and irritating fumes. (NTP, 1992)
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs. However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested. Ipecac syrup or salt water may be used in such an emergency. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Digitin
Digitonin Use and Manufacturing
Clinical reagent (cholesterol determination).
.beta.-D-Galactopyranoside, (2.alpha.,3.beta.,5.alpha.,15.beta.,25R)-2,15-dihydroxyspirostan-3-yl O-.beta.-D-glucopyranosyl-(1.fwdarw.3)-O-.beta.-D-galactopyranosyl-(1.fwdarw.2)-O-[.beta.-D-xylopyranosyl-(1.fwdarw.3)]-O-.beta.-D-glucopyranosyl-(1.fwdarw.4)-: ACTIVE
Computed Properties
Molecular Weight:1229.3
XLogP3:-3.9
Hydrogen Bond Donor Count:17
Hydrogen Bond Acceptor Count:29
Rotatable Bond Count:14
Exact Mass:1228.57242689
Monoisotopic Mass:1228.57242689
Topological Polar Surface Area:455
Heavy Atom Count:85
Complexity:2230
Defined Atom Stereocenter Count:37
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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