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Substance Name: 4(1H)-Quinazolinone, 2,3-dihydro-3-cyclohexyl-8-iodo-2-thioxo-, compd with piperazine (2:1)
RN: 75129-96-3
InChIKey: NIZZHWLVJVNXSA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H28-I2-N4-O2-S2.C4-H10-N2

Molecular Weight

  • 858.64
 
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Names and Synonyms

Synonym

  • 2,3-Dihydro-3-cyclohexyl-8-iodo-2-thioxo-4(1H)-quinazolinone compd. with piperazine (2:1)

Systematic Name

  • 4(1H)-Quinazolinone, 2,3-dihydro-3-cyclohexyl-8-iodo-2-thioxo-, compd with piperazine (2:1)

Registry Numbers

CAS Registry Number

  • 75129-96-3

System Generated Number

  • 0075129963

Molecular Formulas

Molecular Formula

  • C28-H28-I2-N4-O2-S2.C4-H10-N2

Molecular Formula Fragments

  • C28-H28-I2-N4-O2-S2
  • C4-H10-N2
  • COMPONENT

Structure Descriptors

InChI

1S/2C14H15IN2OS.C4H10N2/c2*15-11-8-4-7-10-12(11)16-14(19)17(13(10)18)9-5-2-1-3-6-9;1-2-6-4-3-5-1/h2*4,7-9H,1-3,5-6H2,(H,16,19);5-6H,1-4H2

InChIKey

NIZZHWLVJVNXSA-UHFFFAOYSA-N

Smiles

c1c(c2[nH]c(n(C3CCCCC3)c(=O)c2cc1)=S)I.c1ccc2c(c1I)[nH]c(n(c2=O)C1CCCCC1)=S.C1CNCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 262mg/kg (262mg/kg)   Journal of the Indian Chemical Society. Vol. 56, Pg. 1263, 1979.