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Substance Name: Scopolamine nonylmethansulfonate
RN: 19032-53-2
InChIKey: INLOIZVVZYDZCP-KOTCTWQOSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H40-N-O4.C-H3-O4-S

Molecular Weight

  • 541.7017
 
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Names and Synonyms

  • 3-Oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-9-nonyl-, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-, methyl sulfate (salt)
  • Scopolamine nonylmethansulfonate

Registry Numbers

CAS Registry Number

  • 19032-53-2

System Generated Number

  • 0019032532

Molecular Formulas

Molecular Formula

  • C26-H40-N-O4.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C26-H40-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H40NO4.CH4O4S/c1-3-4-5-6-7-8-12-15-27(2)22-16-20(17-23(27)25-24(22)31-25)30-26(29)21(18-28)19-13-10-9-11-14-19;1-5-6(2,3)4/h9-11,13-14,20-25,28H,3-8,12,15-18H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/t20-,21-,22-,23+,24?,25?,27?;/m1./s1

InChIKey

INLOIZVVZYDZCP-KOTCTWQOSA-M

Smiles

c1(ccccc1)[C@@H](CO)C(=O)O[C@@H]1C[C@@H]2C3C(O3)[C@@H]([N+]2(C)CCCCCCCCC)C1.COS(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1300mg/kg (1300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 1132, 1968.
mouse LD50 subcutaneous 760mg/kg (760mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 1132, 1968.
rat LD50 intraduodenal 500mg/kg (500mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969.
rat LD50 oral 1300mg/kg (1300mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969.
rat LD50 subcutaneous 1750mg/kg (1750mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969.