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Substance Name: 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)-
RN: 108640-35-3
InChIKey: KELJCSWPBKTQDQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H33-N-O-S

Molecular Weight

  • 299.5197
 
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Names and Synonyms

Synonym

  • Hexahydro-1-(4-(heptylthio)butyl)-2H-azepin-2-one

Systematic Name

  • 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)-

Registry Numbers

CAS Registry Number

  • 108640-35-3

System Generated Number

  • 0108640353

Structure Descriptors

InChI

1S/C17H33NOS/c1-2-3-4-5-10-15-20-16-11-9-14-18-13-8-6-7-12-17(18)19/h2-16H2,1H3

InChIKey

KELJCSWPBKTQDQ-UHFFFAOYSA-N

Smiles

CCCCCCCSCCCCN1CCCCCC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4882359,
rat LD50 subcutaneous > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4882359,