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Substance Name: Xanthene-9-carboxylic acid, 1-cyclohexyl-3-pyrrolidinyl ester, hydrochloride
RN: 102585-00-2
InChIKey: QCAFLSSBSUBTGQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H27-N-O3.Cl-H

Molecular Weight

  • 413.9422
 
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Names and Synonyms

Synonyms

  • 1-Cyclohexyl-3-pyrrolidinylxanthene-9-carboxylate hydrochloride
  • AHR 346

Systematic Name

  • Xanthene-9-carboxylic acid, 1-cyclohexyl-3-pyrrolidinyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 102585-00-2

System Generated Number

  • 0102585002

Molecular Formulas

Molecular Formula

  • C24-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C24-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H27NO3.ClH/c26-24(27)23-18-10-4-5-11-20(18)28-21-15-17(25-12-6-7-13-25)14-19(22(21)23)16-8-2-1-3-9-16;/h4-5,10-11,14-16,23H,1-3,6-9,12-13H2,(H,26,27);1H

InChIKey

QCAFLSSBSUBTGQ-UHFFFAOYSA-N

Smiles

c12[C@@H](c3ccccc3Oc2cc(cc1C1CCCCC1)N1CCCC1)C(=O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 153mg/kg (153mg/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.