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Substance Name: 1H-1,3-Diazepine, hexahydro-2-imino-, monoacetate
RN: 26281-33-4
InChIKey: KMLRQJKJTYYQEH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H11-N3.C2-H4-O2

Molecular Weight

  • 173.214
 
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Names and Synonyms

Synonyms

  • 1H-1,3-Diazepin-2-amine, 4,5,6,7-tetrahydro-, monoacetate
  • Hexahydro-2-imino-1H-1,3-diazepine acetate
  • OH 87

Systematic Name

  • 1H-1,3-Diazepine, hexahydro-2-imino-, monoacetate

Registry Numbers

CAS Registry Number

  • 26281-33-4

System Generated Number

  • 0026281334

Molecular Formulas

Molecular Formula

  • C5-H11-N3.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C5-H11-N3
  • COMPONENT

Structure Descriptors

InChI

1S/C5H11N3.C2H4O2/c6-5-7-3-1-2-4-8-5;1-2(3)4/h1-4H2,(H3,6,7,8);1H3,(H,3,4)

InChIKey

KMLRQJKJTYYQEH-UHFFFAOYSA-N

Smiles

N1CCCCN=C1N.C(C)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 240mg/kg (240mg/kg) AUTONOMIC NERVOUS SYSTEM: GANGLION FACILITANT Archives Internationales de Pharmacodynamie et de Therapie. Vol. 189, Pg. 408, 1971.
mouse LD50 intravenous 72mg/kg (72mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 185, Pg. 159, 1970.
mouse LD50 oral 1400mg/kg (1400mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 185, Pg. 159, 1970.