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Substance Name: 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, hydrobromide
RN: 31634-34-1
InChIKey: BZSDABIUARTIJU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N-O-S.Br-H

Molecular Weight

  • 332.304
 
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Names and Synonyms

Synonyms

  • (Thienyl-3)(gamma-N-hexamethylene-imino-propyl)ketone hydrobromide
  • 4-(Hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-1-butanone hydrobromide

Systematic Name

  • 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, hydrobromide

Registry Numbers

CAS Registry Number

  • 31634-34-1

System Generated Number

  • 0031634341

Molecular Formulas

Molecular Formula

  • C14-H21-N-O-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C14-H21-N-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21NOS.BrH/c16-14(13-7-11-17-12-13)6-5-10-15-8-3-1-2-4-9-15;/h7,11-12H,1-6,8-10H2;1H

InChIKey

BZSDABIUARTIJU-UHFFFAOYSA-N

Smiles

C(CCCN1CCCCCC1)(=O)c1cscc1.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 50mg/kg (50mg/kg)   United States Patent Document. Vol. #3894152,