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Substance Name: Xanthene-9-carboxylic acid, 1-methyl-3-pyrrolidinyl ester, sulfate
RN: 102585-07-9
InChIKey: PUNVKRAPJFDGHC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-N-O3.H2-O4-S

Molecular Weight

  • 407.4409
 
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Names and Synonyms

Synonyms

  • 1-Methyl-3-pyrrolidinylxanthene-9-carboxylate sulfate
  • AHR 361

Systematic Name

  • Xanthene-9-carboxylic acid, 1-methyl-3-pyrrolidinyl ester, sulfate

Registry Numbers

CAS Registry Number

  • 102585-07-9

System Generated Number

  • 0102585079

Molecular Formulas

Molecular Formula

  • C19-H19-N-O3.H2-O4-S

Molecular Formula Fragments

  • C19-H19-N-O3
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C19H19NO3.H2O4S/c1-12-10-13(20-8-4-5-9-20)11-16-17(12)18(19(21)22)14-6-2-3-7-15(14)23-16;1-5(2,3)4/h2-3,6-7,10-11,18H,4-5,8-9H2,1H3,(H,21,22);(H2,1,2,3,4)

InChIKey

PUNVKRAPJFDGHC-UHFFFAOYSA-N

Smiles

c12c(cc(cc2C)N2CCCC2)Oc2ccccc2[C@@H]1C(=O)O.S(=O)(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 205mg/kg (205mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 523, 1960.
mouse LD50 oral 600mg/kg (600mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 523, 1960.