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Substance Name: L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate
RN: 128056-05-3
InChIKey: MPDBLYBOXMCSGP-AVGNSLFASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-F-N7-O5.H2-O

Molecular Weight

  • 437.4296
 
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Names and Synonyms

  • L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate

Registry Numbers

CAS Registry Number

  • 128056-05-3

System Generated Number

  • 0128056053

Molecular Formulas

Molecular Formula

  • C18-H24-F-N7-O5.H2-O

Molecular Formula Fragments

  • C18-H24-F-N7-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H24FN7O5/c19-3-5-26-14(27)7-11(24-18(26)31)16(29)23-12(6-10-8-21-9-22-10)17(30)25-4-1-2-13(25)15(20)28/h8-9,11-13H,1-7H2,(H2,20,28)(H,21,22)(H,23,29)(H,24,31)/t11-,12-,13-/m0/s1

InChIKey

MPDBLYBOXMCSGP-AVGNSLFASA-N

Smiles

c1c(nc[nH]1)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N)NC(=O)[C@@H]3CC(=O)N(C(=O)N3)CCF

Toxicity

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