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Substance Name: 2H-Azepin-2-one, 1,3-dihydro-1-(3-piperidinopropyl)-3,5,7-trimethyl-, hydrochloride
RN: 1676-46-6
InChIKey: MRQJYWKDCHNDMJ-UHFFFAOYSA-N

Molecular Formula

  • C17-H28-N2-O.Cl-H

Molecular Weight

  • 312.882
 
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Names and Synonyms

Synonym

  • 1-(3-Piperidinopropyl)-1,3-dihydro-3,5,7-trimethyl-2H-azepin-2-one hydrochloride

Systematic Name

  • 2H-Azepin-2-one, 1,3-dihydro-1-(3-piperidinopropyl)-3,5,7-trimethyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 1676-46-6

System Generated Number

  • 0001676466

Molecular Formulas

Molecular Formula

  • C17-H28-N2-O.Cl-H

Molecular Formula Fragments

  • C17-H28-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H28N2O.ClH/c1-14-12-15(2)17(20)19(16(3)13-14)11-7-10-18-8-5-4-6-9-18;/h12-13,15H,4-11H2,1-3H3;1H

InChIKey

MRQJYWKDCHNDMJ-UHFFFAOYSA-N

Smiles

N1(C(=CC(C)=C[C@@H](C1=O)C)C)CCC[NH+]1CCCCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 56mg/kg (56mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 771, 1963.