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Substance Name: 2-Pyrrolidinone, 1-(4-(hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-
RN: 14053-10-2
InChIKey: JSIGXBPLLLEIPY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H24-N2-O

Molecular Weight

  • 272.39
 
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Names and Synonyms

Synonyms

  • 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone
  • 5-21-06-00371 (Beilstein Handbook Reference)
  • BRN 1478843

Systematic Name

  • 2-Pyrrolidinone, 1-(4-(hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-

Registry Numbers

CAS Registry Number

  • 14053-10-2

System Generated Number

  • 0014053102

Structure Descriptors

InChI

1S/C17H24N2O/c20-17-4-3-9-19(17)8-2-1-7-18-11-15-13-5-6-14(10-13)16(15)12-18/h13-16H,3-12H2

InChIKey

JSIGXBPLLLEIPY-UHFFFAOYSA-N

Smiles

N1(C(CCC1)=O)CC#CCN1C[C@@H]2[C@@H]3CC[C@@H]([C@@H]2C1)C3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Medicinal Chemistry. Vol. 10, Pg. 615, 1967.