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Substance Name: NSC 37855
RN: 2089-46-5
InChIKey: OEPQVKRTPFTHNA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H38-N2-O.2Br-H

Molecular Weight

  • 568.434
 
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Names and Synonyms

Results Name

  • NSC 37855

Synonyms

  • 2,6-Bis(1-piperidylmethyl)-4-(alpha,alpha-dimethylbenzyl)phenol dihydrobromide
  • 2,6-Xylenol, 4-alpha,alpha-dimethylbenzyl-alpha,alpha'-dipiperidino-, dihydrobromide
  • 4-(1-Methyl-1-phenylethyl)-2,6-bis-(1-piperidinylmethyl)phenol dihydrobromide
  • 4-(Bis(2-chloroethyl)amino)phenol
  • 4-alpha,alpha-Dimethylbenzyl-alpha,alpha'-dipiperidino-2,6-xylenol dihydrobromide
  • NSC 37855
  • Ro 2-5803

Systematic Names

  • 2,6-Xylenol, 4-(alpha,alpha-dimethylbenzyl)-alpha,alpha'-dipiperidino-, dihydrobromide (8CI)
  • Phenol, 2,6-bis(piperidinomethyl)-4-(alpha,alpha-dimethylbenzyl)-, dihydrobromide
  • Phenol, 4-(1-methyl-1-phenylethyl)-2,6-bis(1-piperidinylmethyl)-, dihydrobromide

Registry Numbers

CAS Registry Number

  • 2089-46-5

System Generated Number

  • 0002089465

Molecular Formulas

Molecular Formula

  • C27-H38-N2-O.2Br-H

Molecular Formula Fragments

  • Br-H
  • C27-H38-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C27H38N2O.2BrH/c1-27(2,24-12-6-3-7-13-24)25-18-22(20-28-14-8-4-9-15-28)26(30)23(19-25)21-29-16-10-5-11-17-29;;/h3,6-7,12-13,18-19,30H,4-5,8-11,14-17,20-21H2,1-2H3;2*1H

InChIKey

OEPQVKRTPFTHNA-UHFFFAOYSA-N

Smiles

c1(c(c(CN2CCCCC2)cc(c1)C(c1ccccc1)(C)C)O)CN1CCCCC1.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 156mg/kg (156mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 132, Pg. 295, 1961.
mouse LD50 intravenous 30mg/kg (30mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 132, Pg. 295, 1961.
mouse LD50 oral 330mg/kg (330mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 132, Pg. 295, 1961.
rat LD50 oral 600mg/kg (600mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 132, Pg. 295, 1961.