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477-29-2

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Basic Information
CAS No.: 477-29-2
Name: COLCHICOSIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 477-29-2 (COLCHICOSIDE)
Formula: C27H33 N O11
Molecular Weight: 547.559
Synonyms: Acetamide,N-[3-(b-D-glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2,10-trimethoxy-9-oxobenzo[a]heptalen-7-yl]-,(S)-; Colchicoside (6CI,7CI,8CI); Benzo[a]heptalene, acetamide deriv.;3-Demethylcolchicine glucoside
Density: 1.44g/cm3
Melting Point: 194-197°C
Boiling Point: 929°Cat760mmHg
Flash Point: 515.6°C
Safety: Poison by ingestion, parenteral, intracerebral, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also COLCHICINE.
PSA: 173.24000
LogP: 0.43260
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Chemistry

Molecule structure of 3-Demethylcolchicine glucoside (CAS NO.477-29-2) :

IUPAC Name: N-[1,2,10-trimethoxy-9-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide 
Molecular Weight: 547.55102 g/mol
Molecular Formula: C27H33NO11 
Density: 1.44 g/cm3 
Boiling Point: 929 °C at 760 mmHg 
Flash Point: 515.6 °C
Index of Refraction: 1.636
Molar Refractivity: 135.48 cm3
Molar Volume: 377.8 cm3
Polarizability: 53.71*10-24 cm3
Surface Tension: 71.1 dyne/cm 
Enthalpy of Vaporization: 141.56 kJ/mol
XLogP3: -1.1
H-Bond Donor: 5
H-Bond Acceptor: 11
Rotatable Bond Count: 7
Tautomer Count: 2
Exact Mass: 547.205361
MonoIsotopic Mass: 547.205361
Topological Polar Surface Area: 173
Heavy Atom Count: 39
Complexity: 1010
InChI: InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)
InChIKey: UXAFRQPVHYZDED-UHFFFAOYSA-N
EINECS: 207-513-0
Product Categories: Miscellaneous Natural Products

Toxicity Data With Reference

1.    

ice-rat LDLo:75 µg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 109 (1957),386.
2.    

par-rat LDLo:75 µg/kg

     FRPSAX    Farmaco, Edizione Scientifica. 15 (1960),533.
3.    

orl-mus LD50:84 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 94 (1957),386.
4.    

ipr-mus LD50:280 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 109 (1957),386.
5.    

ivn-mus LD50:320 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 94 (1953),453.

Safety Profile

Poison by ingestion, parenteral, intracerebral, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also COLCHICINE.

Specification

 3-Demethylcolchicine glucoside (CAS NO.477-29-2) is also called Colchicoside ; 4-17-00-03428 (Beilstein Handbook Reference) ; BRN 0072204 ; NSC 32992 ; NSC 624672 . 3-Demethylcolchicine glucoside (CAS NO.477-29-2) is high toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep 3-Demethylcolchicine glucoside (CAS NO.477-29-2) separate from raw materials of food.