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Substance Name: L-Prolinamide, N-((hexahydro-2,6-dioxo-1-propyl-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate (2:3)
RN: 128056-03-1
InChIKey: PMFZEXFSORBYMD-IHRRRGAJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H27-N7-O5.3/2H2-O

Molecular Weight

  • 433.4663
 
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Names and Synonyms

  • L-Prolinamide, N-((hexahydro-2,6-dioxo-1-propyl-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate (2:3)

Registry Numbers

CAS Registry Number

  • 128056-03-1

System Generated Number

  • 0128056031

Molecular Formulas

Molecular Formula

  • C19-H27-N7-O5.3/2H2-O

Molecular Formula Fragments

  • C19-H27-N7-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H27N7O5/c1-2-5-26-15(27)8-12(24-19(26)31)17(29)23-13(7-11-9-21-10-22-11)18(30)25-6-3-4-14(25)16(20)28/h9-10,12-14H,2-8H2,1H3,(H2,20,28)(H,21,22)(H,23,29)(H,24,31)/t12-,13-,14-/m0/s1

InChIKey

PMFZEXFSORBYMD-IHRRRGAJSA-N

Smiles

CCCN1C(=O)C[C@H](NC1=O)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.