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Substance Name: Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)-
RN: 3614-74-2
InChIKey: DZRUWBABCQULJK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N-O2

Molecular Weight

  • 219.282
 
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Names and Synonyms

Synonyms

  • 1-(1,4-Benzodioxan-2-ylmethyl)pyrrolidine
  • BD 3

Systematic Names

  • Pyrrolidine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)- (9CI)
  • Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)-

Registry Numbers

CAS Registry Number

  • 3614-74-2

System Generated Number

  • 0003614742

Structure Descriptors

InChI

1S/C13H17NO2/c1-2-6-13-12(5-1)15-10-11(16-13)9-14-7-3-4-8-14/h1-2,5-6,11H,3-4,7-10H2

InChIKey

DZRUWBABCQULJK-UHFFFAOYSA-N

Smiles

N1(CCCC1)C[C@@H]1Oc2c(OC1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 160mg/kg (160mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION
Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 10, Pg. 105, 1963.