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17406-45-0

Basic Information
CAS No.: 17406-45-0
Name: Tomatine
Article Data: 1
Molecular Structure:
Molecular Structure of 17406-45-0 (Tomatine)
Formula: C50H83NO21
Molecular Weight: 1034.2
Synonyms: Tomatine(8CI);a-Tomatine (6CI,7CI);Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidine], b-D-galactopyranoside deriv.;Spirosolane, b-D-galactopyranosidederiv.;Lycopersicin;NSC 234440;NSC 9223;
EINECS: 241-429-5
Density: 1.48 g/cm3
Melting Point: 300-305 °C
Boiling Point: 806.69°C (rough estimate)
Appearance: white to light yellow
Hazard Symbols: HarmfulXn
Risk Codes: 23/25-22
Safety: 45-24/25-22
PSA: 337.86000
LogP: -2.36850
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Chemistry

Molecular structure of Tomatine (CAS NO.17406-45-0) is:

Product Name: Tomatine
CAS Registry Number: 17406-45-0
Molecular Weight: 1034.18812 [g/mol]
Molecular Formula: C50H83NO21
XLogP3-AA: -0.7
H-Bond Donor: 13
H-Bond Acceptor: 22 
EINECS: 241-429-5
Melting Point: 300-305 °C
Surface Tension: 80.5 dyne/cm
Density: 1.48 g/cm3
Product Categories: Alkaloids;Alkaloids (Others);Biochemistry;Glycosides;Steroidglycosides;Steroids;Sugars

Uses

 Tomatine (CAS NO.17406-45-0) is used in medicine, pesticide manufacturing.It has been used as a reagent in analytical chemistry for precipitating cholesterol from solution. Also, it is known to be an immune adjuvant in connection with certain protein antigens.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   Schweizerische Zietschrift fuer Allgemeine Pathologie und Bakteriologie. Vol. 22, Pg. 557, 1959.
mouse LD50 oral 500mg/kg (500mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 61, 1979.
mouse LD50 subcutaneous 1gm/kg (1000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 218, 1982.

Safety Profile

Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx.Safety information of Tomatine (CAS NO.17406-45-0):
Hazard Codes  HarmfulXn
Risk Statements 
23/25 Toxic by inhalation and if swallowed
22 Harmful if swallowed
Safety Statements 
45 In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
24/25 Avoid contact with skin and eyes
22 Do not breathe dust
RIDADR  1544
RTECS  XW1050000

Specification

 Tomatine , its cas register number is 17406-45-0. It also can be called (3beta,5alpha,22beta,25S)-Spirosolan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-xylopyranosyl)-(1-3))-O-(beta-D-glucopyranosyl-(1-4)-beta-D-Galactopyranoside ; Lycopersicin ; Tomatidine, glycoside ; Tomatin ; alpha-Tomatine ; beta-D-Galactopyranoside, (3beta,5alpha,22beta,25S)-spirosolan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)- .