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Substance Name: Ammonium, carboxymethyltrimethyl-, chloride ester with 2-hydroxymethyl-2-phenyl-1,3-indandione
RN: 42223-06-3
InChIKey: ROINYPKVBZJCQF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N-O4.Cl

Molecular Weight

  • 387.8608
 
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Names and Synonyms

Synonyms

  • (1,3-Dioxo-2-phenylindan-2-yl(methoxycarbonyl)methyl)trimethylammonium chloride
  • 2-Trimethylammoniumacetoxymethyl-2-phenyl-indan-1,3-dione chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42223-06-3

System Generated Number

  • 0042223063

Molecular Formulas

Molecular Formula

  • C21-H22-N-O4.Cl

Molecular Formula Fragments

  • C21-H22-N-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22NO4.ClH/c1-22(2,3)13-18(23)26-14-21(15-9-5-4-6-10-15)19(24)16-11-7-8-12-17(16)20(21)25;/h4-12H,13-14H2,1-3H3;1H/q+1;/p-1

InChIKey

ROINYPKVBZJCQF-UHFFFAOYSA-M

Smiles

[Cl-].C[N+](C)(C)CC(=O)OCC1(C(=O)c2ccccc2C1=O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8600ug/kg (8.6mg/kg)   Pharmaceutical Chemistry Journal Vol. 7, Pg. 287, 1973.