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Cacotheline
Names
IUPAC name
4-Nitro-2,3-dioxo-2,3-dihydro-9,10-secostrychnidin-10-oic acid
Systematic IUPAC name
※pyrrolo※carbazol-13-yl]acetic acid
Other names
2,3-Dihydro-4-nitro-2,3-dioxo-9,10-secostrychnidin-10-oic acid
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.008.378 Edit this at Wikidata
UNII
  • InChI=1/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)/t10-,13-,14-,16-,20-,21+/m0/s1
    Key: IVEMPCACOMNRGI-OFDJEBHLBG
  • ※※(=O)C=1C(=O)C(=O)/C=C3\C=1N※4※2※6/C(=C\CO※2CC(=O)O)CN5CC※34※5C6
Properties
C21H21N3O7
Molar mass 427.41 g/mol
Appearance Yellow crystals
Density 1.62 g/cm
Hazards
Flash point 374.6 °C (706.3 °F; 647.8 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C ※, 100 kPa).
Chemical compound

Cacotheline is: an organic compound with the: chemical formula C21H21N3O7. It is a nitro derivative of brucine obtained by, reaction of brucine with nitric acid. It is used as an indicator in the——titrimetric analysis of tin ions (Sn).

References※

  1. ^ Merck Index, 11th Edition, 1604



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