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Substance Name: Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate
RN: 101674-29-7
InChIKey: BCYDBPGWMVRSJM-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H28-N-O3.Br

Molecular Weight

  • 470.404
 
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Names and Synonyms

Synonyms

  • (alpha-(Hydroxymethyl)benzyl)trimethylammonium bromide benzilate
  • FC 649/A

Systematic Name

  • Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate

Registry Numbers

CAS Registry Number

  • 101674-29-7

System Generated Number

  • 0101674297

Molecular Formulas

Molecular Formula

  • C25-H28-N-O3.Br

Molecular Formula Fragments

  • Br
  • C25-H28-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C25H28NO3.BrH/c1-26(2,3)23(20-13-7-4-8-14-20)19-29-24(27)25(28,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18,23,28H,19H2,1-3H3;1H/q+1;/p-1

InChIKey

BCYDBPGWMVRSJM-UHFFFAOYSA-M

Smiles

C(c1ccccc1)(c1ccccc1)(C(OC[C@@H](c1ccccc1)[N+](C)(C)C)=O)O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 27mg/kg (27mg/kg)   Farmaco, Edizione Scientifica. Vol. 19, Pg. 588, 1964.