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Substance Name: Ether, alpha-(bromomethyl)-p-cyclopentylbenzyl 2-ethylhexyl
RN: 21270-12-2
InChIKey: BHVWTVKOTBMWHO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H33-Br-O

Molecular Weight

  • 381.395
 
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Names and Synonyms

Synonyms

  • alpha-(Bromomethyl)-p-cyclopentylbenzyl 2-ethylhexyl ether
  • BRN 2385513

Systematic Name

  • Ether, alpha-(bromomethyl)-p-cyclopentylbenzyl 2-ethylhexyl

Registry Numbers

CAS Registry Number

  • 21270-12-2

System Generated Number

  • 0021270122

Structure Descriptors

InChI

1S/C21H33BrO/c1-3-5-8-17(4-2)16-23-21(15-22)20-13-11-19(12-14-20)18-9-6-7-10-18/h11-14,17-18,21H,3-10,15-16H2,1-2H3

InChIKey

BHVWTVKOTBMWHO-UHFFFAOYSA-N

Smiles

c1(C2CCCC2)ccc([C@@H](OC[C@@H](CCCC)CC)CBr)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 250mg/kg (250mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 81, 1968.