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80841-48-1

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Basic Information
CAS No.: 80841-48-1
Name: 9-[2-Methoxy-4-(methylsulfonylamino)phenylamino]-N,5-dimethyl-4-acridinecarboxamide 2-hydroxyethanesulfonate
Article Data: 2
Molecular Structure:
Molecular Structure of 80841-48-1 (9-[2-Methoxy-4-(methylsulfonylamino)phenylamino]-N,5-dimethyl-4-acridinecarboxamide 2-hydroxyethanesulfonate)
Formula: C2H6O4S•C24H24N4O4S
Molecular Weight: 590.72
Boiling Point: 861.2°C at 760 mmHg
Flash Point: 474.6°C
Safety: Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx.
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Chemistry

IUPAC Name: 2-hydroxyethanesulfonic acid;9-[4-(methanesulfonamido)-2-methoxyanilino]-N,5-dimethylacridine-4-carboxamide 
Empirical Formula: C26H30N4O8S2
Molecular Weight: 590.6684g/mol 
Flash Point: 474.6 °C
Enthalpy of Vaporization: 131.13 kJ/mol
Boiling Point: 861.2 °C at 760 mmHg
Vapour Pressure: 1.27E-31 mmHg at 25°C 
Classification Code: Mutation data, Reproductive Effect
Canonical SMILES: CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NC)N=C12)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.C(CS(=O)(=O)O)O
InChI: InChI=1S/C24H24N4O4S.C2H6O4S/c1-14-7-5-8-16-21(14)27-23-17(9-6-10-18(23)24(29)25-2)22(16)26-19-12-11-15(13-20(19)32-3)28-33(4,30)31;3-1-2-7(4,5)6/h5-13,28H,1-4H3,(H,25,29)(H,26,27);3H,1-2H2,(H,4,5,6)
InChIKey: MWXDBWAFWBSGFA-UHFFFAOYSA-N
Structure of Ethanesulfonic acid, 2-hydroxy-, compd. with 9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-N,5-dimethyl-4-acridinecarboxamide (1:1) (CAS NO.80841-48-1):

Toxicity Data With Reference

1.    

mic-sat 100 µLg/plate

     MUREAV    Mutation Research. 204 (1988),207.
2.    

mnt-ham-lng 100 nmol/L

     MUREAV    Mutation Research. 204 (1988),207.

Safety Profile

Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx.

Specification

  Ethanesulfonic acid, 2-hydroxy-, compd. with 9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-N,5-dimethyl-4-
acridinecarboxamide (1:1) , its cas register number is 80841-48-1. It also can be called NSC 343499 . When heated to decomposition it emits toxic vapors of NOx and SOx.