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Substance Name: Ammonium, (4-benzoyl-4-phenylbutyl)triethyl-, iodide
RN: 38940-50-0
InChIKey: AYFCBVIQWBWGRB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-N-O.I

Molecular Weight

  • 465.412
 
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Names and Synonyms

Synonyms

  • (4-Benzoyl-4-phenylbutyl)triethylammonium iodide
  • Benzoin, deoxy(alpha-(3-triethylammonio)propyl)-, iodide

Systematic Name

  • Ammonium, (4-benzoyl-4-phenylbutyl)triethyl-, iodide

Registry Numbers

CAS Registry Number

  • 38940-50-0

System Generated Number

  • 0038940500

Molecular Formulas

Molecular Formula

  • C23-H32-N-O.I

Molecular Formula Fragments

  • C23-H32-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C23H32NO.HI/c1-4-24(5-2,6-3)19-13-18-22(20-14-9-7-10-15-20)23(25)21-16-11-8-12-17-21;/h7-12,14-17,22H,4-6,13,18-19H2,1-3H3;1H/q+1;/p-1

InChIKey

AYFCBVIQWBWGRB-UHFFFAOYSA-M

Smiles

c1([C@@H](C(c2ccccc2)=O)CCC[N+](CC)(CC)CC)ccccc1.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 6500ug/kg (6.5mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 287, 1972.
mouse LD50 oral 800mg/kg (800mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 287, 1972.