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Substance Name: 1,2,3-Benzotriazin-4(3H)-one, 3-(3-(4-(3-fluorophenyl)-1-piperazinyl)propyl)-, monohydrochloride
RN: 91532-11-5
InChIKey: XTRSZFHBIKFQIW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-F-N5-O.Cl-H

Molecular Weight

  • 403.8867
 
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Names and Synonyms

Synonym

  • (((Fluoro-3 phenyl)-4 piperazinyl-1)-3 propyl)-3H-benzotriazine-1,2,3 one-4 chlorhydrate

Systematic Name

  • 1,2,3-Benzotriazin-4(3H)-one, 3-(3-(4-(3-fluorophenyl)-1-piperazinyl)propyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 91532-11-5

System Generated Number

  • 0091532115

Molecular Formulas

Molecular Formula

  • C20-H22-F-N5-O.Cl-H

Molecular Formula Fragments

  • C20-H22-F-N5-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22FN5O.ClH/c21-16-5-3-6-17(15-16)25-13-11-24(12-14-25)9-4-10-26-20(27)18-7-1-2-8-19(18)22-23-26;/h1-3,5-8,15H,4,9-14H2;1H

InChIKey

XTRSZFHBIKFQIW-UHFFFAOYSA-N

Smiles

Cl.Fc1cccc(c1)N2CCN(CCCN3N=Nc4ccccc4C3=O)CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   United States Patent Document. Vol. #4552878,