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Substance Name: 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride
RN: 138274-18-7
InChIKey: FKYYTBJHRCPDBU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H31-N5-O2.2Cl-H

Molecular Weight

  • 458.4307
 
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Names and Synonyms

  • 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride
  • 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-pipreazinyl)butyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 138274-18-7

System Generated Number

  • 0138274187

Molecular Formulas

Molecular Formula

  • C21-H31-N5-O2.2Cl-H

Molecular Formula Fragments

  • C21-H31-N5-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H31N5O2.2ClH/c1-16-5-6-17-18(15-16)20(28)26(19(17)27)10-3-2-9-24-11-13-25(14-12-24)21-22-7-4-8-23-21;;/h4,7-8,16-18H,2-3,5-6,9-15H2,1H3;2*1H

InChIKey

FKYYTBJHRCPDBU-UHFFFAOYSA-N

Smiles

CC1CCC2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)c4ncccn4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 240mg/kg (240mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 193, 1991.