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Substance Name: 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-3-methyl-
RN: 132634-42-5
InChIKey: QHNQSOMTWZGXCC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-Cl-F3-N3-O3

Molecular Weight

  • 455.8619
 
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Names and Synonyms

  • 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-3-methyl-

Registry Numbers

CAS Registry Number

  • 132634-42-5

System Generated Number

  • 0132634425

Structure Descriptors

InChI

1S/C21H21ClF3N3O3/c1-26-17-11-16(22)15(10-19(17)31-20(26)30)18(29)12-27-5-7-28(8-6-27)14-4-2-3-13(9-14)21(23,24)25/h2-4,9-11,18,29H,5-8,12H2,1H3

InChIKey

QHNQSOMTWZGXCC-UHFFFAOYSA-N

Smiles

Cn1c2cc(c(cc2oc1=O)C(CN3CCN(CC3)c4cccc(c4)C(F)(F)F)O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 41, Pg. 73, 1991.