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Substance Name: Apoatropine methylbromide
RN: 63978-21-2
InChIKey: HWSIFOCWTRPVRY-UHFFFAOYSA-N

Molecular Formula

  • C17-H21-N-O2.C-H3-Br

Molecular Weight

  • 366.297
 
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Names and Synonyms

Results Name

  • Apoatropine methylbromide

Synonym

  • Apoatropine methylbromide

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, atropate (ester), methylbromide

Registry Numbers

CAS Registry Number

  • 63978-21-2

System Generated Number

  • 0063978212

Molecular Formulas

Molecular Formula

  • C17-H21-N-O2.C-H3-Br

Molecular Formula Fragments

  • C-H3-Br
  • C17-H21-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21NO2.CH3Br/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2;1-2/h3-7,14-16H,1,8-11H2,2H3;1H3

InChIKey

HWSIFOCWTRPVRY-UHFFFAOYSA-N

Smiles

N1([C@@H]2CC(C[C@@H]1CC2)OC(C(c1ccccc1)=C)=O)C.CBr

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 760ug/kg (0.76mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 86, Pg. 511, 1954.