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Substance Name: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride
RN: 110406-40-1
InChIKey: RVWVLQPUPVOFID-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-Cl-N4-O.2Cl-H

Molecular Weight

  • 511.9217
 
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Names and Synonyms

  • 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 110406-40-1

System Generated Number

  • 0110406401

Molecular Formulas

Molecular Formula

  • C25-H31-Cl-N4-O.2Cl-H

Molecular Formula Fragments

  • C25-H31-Cl-N4-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31ClN4O.2ClH/c1-28(2)16-17-29-14-5-6-21(13-15-29)30-25(31)23-8-4-3-7-22(23)24(27-30)18-19-9-11-20(26)12-10-19;;/h3-4,7-12,21H,5-6,13-18H2,1-2H3;2*1H

InChIKey

RVWVLQPUPVOFID-UHFFFAOYSA-N

Smiles

CN(C)CCN1CCCC(CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl.Cl.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,