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Substance Name: 1H-Azepine, hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-
RN: 69740-07-4
InChIKey: AHHSZAVXRRLWGL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H39-N

Molecular Weight

  • 329.5681
 
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Names and Synonyms

Synonyms

  • Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine
  • N-(3'-p-tert-Butylphenyl)-2'-(methylpropyl-1')-3,5,5-trimethyl-hexahydro-1H-azepine
  • N-(3'-p-tert-Butylphenyl)-2'-(methylpropyl-1')-3,5,5-trimethyl-hexahydro-1H-azepine [German]

Systematic Name

  • 1H-Azepine, hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-

Registry Numbers

CAS Registry Number

  • 69740-07-4

System Generated Number

  • 0069740074

Structure Descriptors

InChI

1S/C23H39N/c1-18(14-20-8-10-21(11-9-20)22(3,4)5)16-24-13-12-23(6,7)15-19(2)17-24/h8-11,18-19H,12-17H2,1-7H3

InChIKey

AHHSZAVXRRLWGL-UHFFFAOYSA-N

Smiles

CC1CC(CCN(C1)CC(C)Cc2ccc(cc2)C(C)(C)C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2150mg/kg (2150mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2822326,