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Substance Name: Xanthene-9-carboxylic acid, 1-ethyl-3-pyrrolidinyl ester, sulfate
RN: 102585-02-4
InChIKey: WTCTZAMXGNYBFU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-N-O3.H2-O4-S

Molecular Weight

  • 421.4677
 
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Names and Synonyms

Synonyms

  • 1-Ethyl-3-pyrrolidinylxanthene-9-carboxylate sulfate
  • AHR 360

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102585-02-4

System Generated Number

  • 0102585024

Molecular Formulas

Molecular Formula

  • C20-H21-N-O3.H2-O4-S

Molecular Formula Fragments

  • C20-H21-N-O3
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C20H21NO3.H2O4S/c1-2-13-11-14(21-9-5-6-10-21)12-17-18(13)19(20(22)23)15-7-3-4-8-16(15)24-17;1-5(2,3)4/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3,(H,22,23);(H2,1,2,3,4)

InChIKey

WTCTZAMXGNYBFU-UHFFFAOYSA-N

Smiles

c12c(cc(cc2CC)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 850mg/kg (850mg/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 170mg/kg (170mg/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.