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Substance Name: Terephthalamide, N,N'-bis(1-methyl-4-piperidylmethyl)-, hemihydrate
RN: 10593-60-9
InChIKey: KOYCEBSRPACDCD-UHFFFAOYSA-N

Molecular Formula

  • C22-H34-N2-O2.1/2H2-O

Molecular Weight

  • 386.5366
 
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Names and Synonyms

Synonym

  • N,N'-(1-Methyl-4-piperidylmethyl)terephthalamide hemihydrate

Systematic Name

  • Terephthalamide, N,N'-bis(1-methyl-4-piperidylmethyl)-, hemihydrate

Registry Numbers

CAS Registry Number

  • 10593-60-9

System Generated Number

  • 0010593609

Molecular Formulas

Molecular Formula

  • C22-H34-N2-O2.1/2H2-O

Molecular Formula Fragments

  • C22-H34-N2-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H34N4O2/c1-25-11-7-17(8-12-25)15-23-21(27)19-3-5-20(6-4-19)22(28)24-16-18-9-13-26(2)14-10-18/h3-6,17-18H,7-16H2,1-2H3,(H,23,27)(H,24,28)

InChIKey

KOYCEBSRPACDCD-UHFFFAOYSA-N

Smiles

CN1CCC(CC1)CNC(=O)c2ccc(cc2)C(=O)NCC3CCN(CC3)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8910ug/kg (8.91mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12362,