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Substance Name: 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl-
RN: 104502-45-6
InChIKey: XGGSEAYTGROACB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-Cl-N-O2

Molecular Weight

  • 257.759
 
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Names and Synonyms

Synonyms

  • 3-Chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl-2(5H)-furanone
  • BRN 4689508

Systematic Name

  • 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl-

Registry Numbers

CAS Registry Number

  • 104502-45-6

System Generated Number

  • 0104502456

Structure Descriptors

InChI

1S/C13H20ClNO2/c1-10-11(14)12(16)17-13(10,2)9-15-7-5-3-4-6-8-15/h3-9H2,1-2H3

InChIKey

XGGSEAYTGROACB-UHFFFAOYSA-N

Smiles

C([C@@]1(C(=C(Cl)C(O1)=O)C)C)N1CCCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 66800ug/kg (66.8mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Pharmaceutical Chemistry Journal Vol. 20, Pg. 737, 1986.