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Substance Name: Ammonium, carboxymethyltrimethyl-, chloride ester with 5-chloro-2-hydroxymethyl-2-phenyl-1,3-indandione
RN: 42223-05-2
InChIKey: VFHLLRWGQJMPNU-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-Cl-N-O4.Cl

Molecular Weight

  • 422.306
 
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Names and Synonyms

Synonyms

  • (5-Chloro-1,3-dioxo-2-phenylindan-2-yl(methoxycarbonyl)methyl)trimethylammonium chloride
  • 2-Trimethylammoniumacetoxymethyl-2-phenyl-5-chloroindan-1,3-dionechloride

Systematic Name

  • Ammonium, carboxymethyltrimethyl-, chloride ester with 5-chloro-2-hydroxymethyl-2-phenyl-1,3-indandione

Registry Numbers

CAS Registry Number

  • 42223-05-2

System Generated Number

  • 0042223052

Molecular Formulas

Molecular Formula

  • C21-H21-Cl-N-O4.Cl

Molecular Formula Fragments

  • C21-H21-Cl-N-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21ClNO4.ClH/c1-23(2,3)12-18(24)27-13-21(14-7-5-4-6-8-14)19(25)16-10-9-15(22)11-17(16)20(21)26;/h4-11H,12-13H2,1-3H3;1H/q+1;/p-1

InChIKey

VFHLLRWGQJMPNU-UHFFFAOYSA-M

Smiles

c1([C@@]2(C(c3cc(Cl)ccc3C2=O)=O)COC(C[N+](C)(C)C)=O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5200ug/kg (5.2mg/kg)   Pharmaceutical Chemistry Journal Vol. 7, Pg. 287, 1973.