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Substance Name: Benzeneacetic acid, 4-bromo-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
RN: 76489-33-3
InChIKey: ZFQMDARKBVDVNW-UHFFFAOYSA-N

Molecular Formula

  • C25-H22-Br-N-O3

Molecular Weight

  • 464.357
 
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Names and Synonyms

Synonym

  • RES 2664

Systematic Name

  • Benzeneacetic acid, 4-bromo-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester

Registry Numbers

CAS Registry Number

  • 76489-33-3

System Generated Number

  • 0076489333

Structure Descriptors

InChI

1S/C25H22BrNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3

InChIKey

ZFQMDARKBVDVNW-UHFFFAOYSA-N

Smiles

c1([C@@H](C(O[C@@H](c2cc(Oc3ccccc3)ccc2)C#N)=O)C(C)C)ccc(Br)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intravenous 150mg/kg (150mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Archives of Toxicology. Vol. 45, Pg. 325, 1980.