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Substance Name: Pyrrolidinium, 1,1-dimethyl-3-hydroxy-, methylsulfate, xanthene-9-carboxylate
RN: 102584-69-0
InChIKey: GAMXXLBMAUKGOL-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N-O3.C-H3-O4-S

Molecular Weight

  • 435.4945
 
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Names and Synonyms

Synonyms

  • 1,1-Dimethyl-3-hydroxypyrrolidinium methylsulfate xanthene-9-carboxylate
  • AHR 389

Systematic Name

  • Pyrrolidinium, 1,1-dimethyl-3-hydroxy-, methylsulfate, xanthene-9-carboxylate

Registry Numbers

CAS Registry Number

  • 102584-69-0

System Generated Number

  • 0102584690

Molecular Formulas

Molecular Formula

  • C20-H22-N-O3.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C20-H22-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22NO3.CH4O4S/c1-21(2)12-11-14(13-21)23-20(22)19-15-7-3-5-9-17(15)24-18-10-6-4-8-16(18)19;1-5-6(2,3)4/h3-10,14,19H,11-13H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

GAMXXLBMAUKGOL-UHFFFAOYSA-M

Smiles

C[N+]1(CCC(C1)OC(=O)C2c3ccccc3Oc4c2cccc4)C.COS(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 112mg/kg (112mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 523, 1960.