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Substance Name: Heptanamide, 7-isopropylthio-N-vanillyl-
RN: 101517-14-0
InChIKey: LNTXTSIMAYYROO-UHFFFAOYSA-N

Molecular Formula

  • C18-H29-N-O3-S

Molecular Weight

  • 339.4971
 
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Names and Synonyms

Synonyms

  • 7-Isopropylthio-N-vanillylheptanamide
  • N-Vanillyl-7-isopropylthioheptanamide

Systematic Name

  • Heptanamide, 7-isopropylthio-N-vanillyl-

Registry Numbers

CAS Registry Number

  • 101517-14-0

System Generated Number

  • 0101517140

Structure Descriptors

InChI

1S/C18H29NO3S/c1-14(2)23-11-7-5-4-6-8-18(21)19-13-15-9-10-16(20)17(12-15)22-3/h9-10,12,14,20H,4-8,11,13H2,1-3H3,(H,19,21)

InChIKey

LNTXTSIMAYYROO-UHFFFAOYSA-N

Smiles

CC(C)SCCCCCCC(=O)NCc1ccc(c(c1)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3200ug/kg (3.2mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08143,