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Substance Name: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, monohydrochloride
RN: 110406-57-0
InChIKey: AETXGTQMQZANNB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H31-F2-N3-O.Cl-H

Molecular Weight

  • 524.0518
 
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Names and Synonyms

  • 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 110406-57-0

System Generated Number

  • 0110406570

Molecular Formulas

Molecular Formula

  • C30-H31-F2-N3-O.Cl-H

Molecular Formula Fragments

  • C30-H31-F2-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H31F2N3O.ClH/c31-24-13-9-22(10-14-24)5-3-18-34-19-4-6-26(17-20-34)35-30(36)28-8-2-1-7-27(28)29(33-35)21-23-11-15-25(32)16-12-23;/h1-2,7-16,26H,3-6,17-21H2;1H

InChIKey

AETXGTQMQZANNB-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(nn(c2=O)C3CCCN(CC3)CCCc4ccc(cc4)F)Cc5ccc(cc5)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4841047,