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Substance Name: Ether, alpha-(bromomethyl)-p-isopropylbenzyl dodecyl
RN: 21270-05-3
InChIKey: IGKJHIYJWOEEQC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H39-Br-O

Molecular Weight

  • 411.464
 
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Names and Synonyms

Synonyms

  • alpha-(Bromomethyl)-p-isopropylbenzyl dodecyl ether
  • BRN 2385759

Systematic Name

  • Ether, alpha-(bromomethyl)-p-isopropylbenzyl dodecyl

Registry Numbers

CAS Registry Number

  • 21270-05-3

System Generated Number

  • 0021270053

Structure Descriptors

InChI

1S/C23H39BrO/c1-4-5-6-7-8-9-10-11-12-13-18-25-23(19-24)22-16-14-21(15-17-22)20(2)3/h14-17,20,23H,4-13,18-19H2,1-3H3

InChIKey

IGKJHIYJWOEEQC-UHFFFAOYSA-N

Smiles

c1([C@@H](OCCCCCCCCCCCC)CBr)ccc(C(C)C)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.