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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-(p-pentylbenzyl)-, bromide, (+-)-tropate
RN: 102433-01-2
InChIKey: LMZXFOYKSILQEG-UZACQVHVSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H40-N-O3.Br

Molecular Weight

  • 530.543
 
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Names and Synonyms

Synonyms

  • 8-(p-Pentylbenzyl)atropinium bromide
  • Atropinium, 8-(p-pentylbenzyl)-, bromide
  • N-730

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-(p-pentylbenzyl)-, bromide, (+-)-tropate

Registry Numbers

CAS Registry Number

  • 102433-01-2

System Generated Number

  • 0102433012

Molecular Formulas

Molecular Formula

  • C29-H40-N-O3.Br

Molecular Formula Fragments

  • Br
  • C29-H40-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C29H40NO3.BrH/c1-3-4-6-9-22-12-14-23(15-13-22)20-30(2)25-16-17-26(30)19-27(18-25)33-29(32)28(21-31)24-10-7-5-8-11-24;/h5,7-8,10-15,25-28,31H,3-4,6,9,16-21H2,1-2H3;1H/q+1;/p-1/t25-,26+,27+,28?,30?;

InChIKey

LMZXFOYKSILQEG-UZACQVHVSA-M

Smiles

CCCCCc1ccc(cc1)C[N+]2([C@@H]3CC[C@H]2C[C@H](C3)OC(=O)C(CO)c4ccccc4)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 64mg/kg (64mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 404, 1963.