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6887-42-9

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Basic Information
CAS No.: 6887-42-9
Name: DELSEMINE
Molecular Structure:
Molecular Structure of 6887-42-9 (DELSEMINE )
Formula: C37H53N3O10
Molecular Weight: 699.93
Safety: A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
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Chemistry

Product Name: Delsemine
Synonyms of Delsemine (CAS NO.6887-42-9) : Aconitane-7,8-diol, 4-(((2-((4-amino-2(or 3)-methyl-1,4-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-1,6,14,16-tetramethoxy-, (1-alpha,6-beta,14-alpha,16-beta)-
Classification Code :Natural Product 
InChI: InChI=1/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19?,21?,22?,24-,25?,27?,28?,29?,30-,33?,34-,35+,36?,37-/m0/s1
CAS NO:6887-42-9  
Molecular Formula:C37H53N3O10     
Molecular Weight :699.93                                                     
Molecular Structure :
Index of Refraction: 1.614                
Surface Tension: 63.6 dyne/cm 
Density: 1.34 g/cm3 
Flash Point: 470.9 °C 
Enthalpy of Vaporization: 130.2 kJ/mol 
Boiling Point: 855.1 °C at 760 mmHg 
Vapour Pressure: 3.94E-31 mmHg at 25°C 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 37400ug/kg (37.4mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 15, Pg. 180, 1984.

Safety Profile

A poison by intraperitoneal route. When Delsemine (CAS NO.6887-42-9) is heated to decomposition ,it emits toxic vapors of NOx.