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Substance Name: Benzaldehyde, 4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-
RN: 84344-65-0
InChIKey: BENHOCSWVAGQEL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-F3-N2-O2

Molecular Weight

  • 392.419
 
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Names and Synonyms

Synonyms

  • 4-(3-(4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)propoxy)benzaldehyde
  • BRN 4568158

Systematic Name

  • Benzaldehyde, 4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-

Registry Numbers

CAS Registry Number

  • 84344-65-0

System Generated Number

  • 0084344650

Structure Descriptors

InChI

1S/C21H23F3N2O2/c22-21(23,24)18-3-1-4-19(15-18)26-12-10-25(11-13-26)9-2-14-28-20-7-5-17(16-27)6-8-20/h1,3-8,15-16H,2,9-14H2

InChIKey

BENHOCSWVAGQEL-UHFFFAOYSA-N

Smiles

c1(N2CCN(CCCOc3ccc(C=O)cc3)CC2)cc(ccc1)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 21, Pg. 435, 1982.