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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 8-(p-ethylbenzyl)-3-hydroxy-, bromide, alpha-phenylcyclohexaneacetate
RN: 102432-93-9
InChIKey: LAQLYNBMDXNTHI-FDTHJPGXSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H42-N-O2.Br

Molecular Weight

  • 540.5818
 
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Names and Synonyms

Synonyms

  • 8-(p-Ethylbenzyl)tropinium bromide alpha-phenylcyclohexaneacetate
  • N-709
  • Tropinium, 8-(p-ethylbenzyl)-, bromide, alpha-phenylcyclohexaneacetate

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropanium, 8-(p-ethylbenzyl)-3-hydroxy-, bromide, alpha-phenylcyclohexaneacetate

Registry Numbers

CAS Registry Number

  • 102432-93-9

System Generated Number

  • 0102432939

Molecular Formulas

Molecular Formula

  • C31-H42-N-O2.Br

Molecular Formula Fragments

  • Br
  • C31-H42-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C31H42NO2.BrH/c1-3-23-14-16-24(17-15-23)22-32(2)27-18-19-28(32)21-29(20-27)34-31(33)30(25-10-6-4-7-11-25)26-12-8-5-9-13-26;/h4,6-7,10-11,14-17,26-30H,3,5,8-9,12-13,18-22H2,1-2H3;1H/q+1;/p-1/t27-,28+,29+,30?,32?;

InChIKey

LAQLYNBMDXNTHI-FDTHJPGXSA-M

Smiles

CCc1ccc(cc1)C[N+]2([C@@H]3CC[C@H]2C[C@H](C3)OC(=O)C(c4ccccc4)C5CCCCC5)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 14500ug/kg (14.5mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 404, 1963.