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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-alpha-hydroxy-, bromide, (+-)-tropate
RN: 102432-87-1
InChIKey: DDCQMKSFPWLPSQ-ZHRHLSBQSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-N-O3.Br

Molecular Weight

  • 460.409
 
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Names and Synonyms

Synonyms

  • 8-Benzylatropinium bromide
  • Atropinium, 8-benzyl-, bromide
  • NA-60

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102432-87-1

System Generated Number

  • 0102432871

Molecular Formulas

Molecular Formula

  • C24-H30-N-O3.Br

Molecular Formula Fragments

  • Br
  • C24-H30-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C24H30NO3.BrH/c1-25(16-18-8-4-2-5-9-18)20-12-13-21(25)15-22(14-20)28-24(27)23(17-26)19-10-6-3-7-11-19;/h2-11,20-23,26H,12-17H2,1H3;1H/q+1;/p-1/t20-,21+,22+,23?,25?;

InChIKey

DDCQMKSFPWLPSQ-ZHRHLSBQSA-M

Smiles

C[N+]1([C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3)Cc4ccccc4.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 83mg/kg (83mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 404, 1963.