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Substance Name: Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride
RN: 84508-86-1
InChIKey: IOGWTMOHMQPGIK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-N-O4.Cl-H

Molecular Weight

  • 271.6986
 
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Names and Synonyms

Synonyms

  • 4-(6,8-Dioxa-3-azabicyclo(3.2.1)-5-octanoyl)benzoic acid chlorhydrate
  • 4-(6,8-Dioxa-3-azabicyclo(3.2.1)oct-5-yl)benzoic acid hydrochloride

Systematic Name

  • Benzoic acid, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 84508-86-1

System Generated Number

  • 0084508861

Molecular Formulas

Molecular Formula

  • C12-H13-N-O4.Cl-H

Molecular Formula Fragments

  • C12-H13-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H13NO4.ClH/c14-11(15)8-1-3-9(4-2-8)12-7-13-5-10(17-12)6-16-12;/h1-4,10,13H,5-7H2,(H,14,15);1H

InChIKey

IOGWTMOHMQPGIK-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)O)C23CNCC(O2)CO3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   United States Patent Document. Vol. #4463004,