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Substance Name: Acetic acid, diphenyl-, beta-(4-methyl-1-piperazinyl)phenethyl ester, methobromide
RN: 102585-51-3
InChIKey: IIMUZQLNNNKPTR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H30-N2-O2.C-H3-Br

Molecular Weight

  • 509.485
 
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Names and Synonyms

Synonym

  • FC 644/A

Systematic Name

  • Acetic acid, diphenyl-, beta-(4-methyl-1-piperazinyl)phenethyl ester, methobromide

Registry Numbers

CAS Registry Number

  • 102585-51-3

System Generated Number

  • 0102585513

Molecular Formulas

Molecular Formula

  • C27-H30-N2-O2.C-H3-Br

Molecular Formula Fragments

  • C-H3-Br
  • C27-H30-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C28H33N2O2.BrH/c1-30(2)20-18-29(19-21-30)26(23-12-6-3-7-13-23)22-32-28(31)27(24-14-8-4-9-15-24)25-16-10-5-11-17-25;/h3-17,26-27H,18-22H2,1-2H3;1H/q+1;/p-1

InChIKey

IIMUZQLNNNKPTR-UHFFFAOYSA-M

Smiles

C(c1ccccc1)(c1ccccc1)C(OC[C@@H](N1CC[N+](C)(C)CC1)c1ccccc1)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 37mg/kg (37mg/kg)   Farmaco, Edizione Scientifica. Vol. 19, Pg. 588, 1964.