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Substance Name: 4-Pyrimidinecarboxamide, hexahydro-N-(2-(2-aminocarbonyl)-1-piperidinyl)- 1-(1H-imidazol-4-ylmethyl-2-oxoethyl)-2,6-dioxo-1-methyl-, (4S-(4R*(R*(R*))))-, hemihydrate
RN: 128055-86-7
InChIKey: KSIPWARQLVLPAI-AVGNSLFASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N7-O5.1/2H2-O

Molecular Weight

  • 419.4395
 
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Names and Synonyms

  • 4-Pyrimidinecarboxamide, hexahydro-N-(2-(2-aminocarbonyl)-1-piperidinyl)- 1-(1H-imidazol-4-ylmethyl-2-oxoethyl)-2,6-dioxo-1-methyl-, (4S-(4R*(R*(R*))))-, hemihydrate

Registry Numbers

CAS Registry Number

  • 128055-86-7

System Generated Number

  • 0128055867

Molecular Formulas

Molecular Formula

  • C18-H25-N7-O5.1/2H2-O

Molecular Formula Fragments

  • C18-H25-N7-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H25N7O5/c1-24-14(26)7-11(23-18(24)30)16(28)22-12(6-10-8-20-9-21-10)17(29)25-5-3-2-4-13(25)15(19)27/h8-9,11-13H,2-7H2,1H3,(H2,19,27)(H,20,21)(H,22,28)(H,23,30)/t11-,12-,13-/m0/s1

InChIKey

KSIPWARQLVLPAI-AVGNSLFASA-N

Smiles

CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N3CCCC[C@H]3C(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 2130, 1990.