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Substance Name: 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl-
RN: 21133-81-3
InChIKey: VVNFRLVEGCQIMB-UHFFFAOYSA-N

Molecular Formula

  • C12-H17-Br-O2

Molecular Weight

  • 273.168
 
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Names and Synonyms

Synonyms

  • BRN 2108770
  • p-Bromophenyl-1-methyl-1-dimethyl-3,3 propanediol-1,3
  • RD 6003

Systematic Name

  • 2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl-

Registry Numbers

CAS Registry Number

  • 21133-81-3

System Generated Number

  • 0021133813

Structure Descriptors

InChI

1S/C12H17BrO2/c1-11(2,14)8-12(3,15)9-4-6-10(13)7-5-9/h4-7,14-15H,8H2,1-3H3

InChIKey

VVNFRLVEGCQIMB-UHFFFAOYSA-N

Smiles

C[C@@](CC(C)(O)C)(O)c1ccc(cc1)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1175mg/kg (1175mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Chimica Therapeutica. Vol. 3, Pg. 296, 1968.