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Substance Name: 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester)
RN: 14053-18-0
InChIKey: KXGQQUDGEWWPLZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H13-N-O2

Molecular Weight

  • 179.218
 
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Names and Synonyms

Synonyms

  • 4-(3-Pyrrolin-1-yl)-2-butyn-1-ol acetate
  • BRN 1367641

Systematic Name

  • 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester)

Registry Numbers

CAS Registry Number

  • 14053-18-0

System Generated Number

  • 0014053180

Structure Descriptors

InChI

1S/C10H13NO2/c1-10(12)13-9-5-4-8-11-6-2-3-7-11/h2-3H,6-9H2,1H3

InChIKey

KXGQQUDGEWWPLZ-UHFFFAOYSA-N

Smiles

C(C)(=O)OCC#CCN1CC=CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/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.