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Substance Name: L-Prolinamide, N-((hexahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hemihydrate
RN: 128056-17-7
InChIKey: JMERPGMNJOQQDF-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

  • L-Prolinamide, N-((hexahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hemihydrate

Registry Numbers

CAS Registry Number

  • 128056-17-7

System Generated Number

  • 0128056177

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

InChIKey

JMERPGMNJOQQDF-AVGNSLFASA-N

Smiles

CN1[C@@H](CC(=O)N(C1=O)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N3CCC[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.