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Substance Name: 4(1H)-Quinazolinone, 1-(N,N-diethylglycyl)-2,3-dihydro-2-methyl-3-phenyl-, monohydrochloride, hydrate
RN: 16711-38-9
InChIKey: XRMLHHBPVPWEMK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N3-O2.Cl-H.H2-O

Molecular Weight

  • 405.923
 
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Names and Synonyms

Synonym

  • 1-(N,N-Diethylglycyl)-2,3-dihydro-2-methyl-3-phenyl-4(1H)-quinazolinone HCl hydrate

Systematic Name

  • 4(1H)-Quinazolinone, 1-(N,N-diethylglycyl)-2,3-dihydro-2-methyl-3-phenyl-, monohydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 16711-38-9

System Generated Number

  • 0016711389

Molecular Formulas

Molecular Formula

  • C21-H25-N3-O2.Cl-H.H2-O

Molecular Formula Fragments

  • C21-H25-N3-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H25N3O2.ClH.H2O/c1-4-22(5-2)15-20(25)24-16(3)23(17-11-7-6-8-12-17)21(26)18-13-9-10-14-19(18)24;;/h6-14,16H,4-5,15H2,1-3H3;1H;1H2

InChIKey

XRMLHHBPVPWEMK-UHFFFAOYSA-N

Smiles

c1ccc2c(N([C@@H](C)N(c3ccccc3)C2=O)C(CN(CC)CC)=O)c1.O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 254mg/kg (254mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 11, Pg. 348, 1968.
mouse LD50 oral 864mg/kg (864mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 11, Pg. 348, 1968.