Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ammonium, carboxymethyltrimethyl-, chloride ester with 2-hydroxymethyl-5-methoxy-2-(p-methoxyphenyl)-1,3-indandione
RN: 42223-03-0
InChIKey: QNBLMVPIDYIUAQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-N-O6.Cl

Molecular Weight

  • 447.912
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 2-Trimethylammoniumacetoxymethyl-2-(p-methoxyphenyl)-5-methoxyindan-1,3-dione chloride

Systematic Name

  • Ammonium, carboxymethyltrimethyl-, chloride ester with 2-hydroxymethyl-5-methoxy-2-(p-methoxyphenyl)-1,3-indandione

Registry Numbers

CAS Registry Number

  • 42223-03-0

System Generated Number

  • 0042223030

Molecular Formulas

Molecular Formula

  • C23-H26-N-O6.Cl

Molecular Formula Fragments

  • C23-H26-N-O6
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C23H26NO6.ClH/c1-24(2,3)13-20(25)30-14-23(15-6-8-16(28-4)9-7-15)21(26)18-11-10-17(29-5)12-19(18)22(23)27;/h6-12H,13-14H2,1-5H3;1H/q+1;/p-1

InChIKey

QNBLMVPIDYIUAQ-UHFFFAOYSA-M

Smiles

c1([C@@]2(C(c3ccc(cc3C2=O)OC)=O)COC(C[N+](C)(C)C)=O)ccc(OC)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8000ug/kg (8mg/kg)   Pharmaceutical Chemistry Journal Vol. 7, Pg. 287, 1973.