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Substance Name: 1H-1,4-Diazepine-1-acetic acid, hexahydro-4-methyl-alpha-p-tolyl-, ethyl ester
RN: 7550-11-0
InChIKey: HYRVBWFGKCMEPY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-N2-O2

Molecular Weight

  • 290.404
 
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Names and Synonyms

Synonyms

  • 4-Methyl-alpha-p-tolylhexahydro-1H-1,4-diazepine-1-acetic acid ethyl ester
  • BRN 0543372

Systematic Name

  • 1H-1,4-Diazepine-1-acetic acid, hexahydro-4-methyl-alpha-p-tolyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 7550-11-0

System Generated Number

  • 0007550110

Structure Descriptors

InChI

1S/C17H26N2O2/c1-4-21-17(20)16(15-8-6-14(2)7-9-15)19-11-5-10-18(3)12-13-19/h6-9,16H,4-5,10-13H2,1-3H3

InChIKey

HYRVBWFGKCMEPY-UHFFFAOYSA-N

Smiles

C1[N@@](CCC[N@@](C1)C)[C@@H](C(=O)OCC)c1ccc(cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 163mg/kg (163mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: EXCITEMENT
Indian Journal of Chemistry. Vol. 4, Pg. 239, 1965.