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Substance Name: 3-Pyridinecarbamic acid, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester), monohydrochloride
RN: 25384-92-3
InChIKey: PWEZXHPFTXEFET-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N3-O4.Cl-H

Molecular Weight

  • 331.798
 
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Names and Synonyms

  • 3-Pyridinecarbamic acid, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester), monohydrochloride

Registry Numbers

CAS Registry Number

  • 25384-92-3

System Generated Number

  • 0025384923

Molecular Formulas

Molecular Formula

  • C14-H21-N3-O4.Cl-H

Molecular Formula Fragments

  • C14-H21-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21N3O4.ClH/c1-3-6-14(2,9-20-12(15)18)10-21-13(19)17-11-5-4-7-16-8-11;/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,15,18)(H,17,19);1H

InChIKey

PWEZXHPFTXEFET-UHFFFAOYSA-N

Smiles

C(N)(=O)OC[C@@](COC(Nc1cnccc1)=O)(CCC)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 280mg/kg (280mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.