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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 8-((1,1'-biphenyl)-4-ylmethyl)-3-hydroxy-, bromide, O-propionyltropate (ester)
RN: 73954-04-8
InChIKey: GNADOPZFEQZQBZ-UHFFFAOYSA-M

Molecular Formula

  • C33-H38-N-O4.Br

Molecular Weight

  • 592.5702
 
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Names and Synonyms

Synonyms

  • N-4-Biphenylyl-methyl-O-propionyl-atropinium-bromid
  • N-4-Biphenylyl-methyl-O-propionyl-atropinium-bromid [German]
  • V 404

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropanium, 8-((1,1'-biphenyl)-4-ylmethyl)-3-hydroxy-, bromide, O-propionyltropate (ester)

Registry Numbers

CAS Registry Number

  • 73954-04-8

System Generated Number

  • 0073954048

Molecular Formulas

Molecular Formula

  • C33-H38-N-O4.Br

Molecular Formula Fragments

  • Br
  • C33-H38-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C33H38NO4.BrH/c1-3-32(35)37-23-31(27-12-8-5-9-13-27)33(36)38-30-20-28-18-19-29(21-30)34(28,2)22-24-14-16-26(17-15-24)25-10-6-4-7-11-25;/h4-17,28-31H,3,18-23H2,1-2H3;1H/q+1;/p-1

InChIKey

GNADOPZFEQZQBZ-UHFFFAOYSA-M

Smiles

CCC(=O)OCC(c1ccccc1)C(=O)OC2CC3CCC(C2)[N+]3(C)Cc4ccc(cc4)c5ccccc5.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 49mg/kg (49mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 637, 1966.
mouse LD50 intravenous 10500ug/kg (10.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 637, 1966.
mouse LD50 oral 1700mg/kg (1700mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 637, 1966.
rat LD50 intravenous 10500ug/kg (10.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 637, 1966.