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Substance Name: L-Prolinamide, N-((1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-,hydrate (4:5)
RN: 79438-12-3
InChIKey: MENMQXOWQAPYTE-RYUDHWBXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N7-O5.5/4H2-O

Molecular Weight

  • 403.3969
 
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Names and Synonyms

  • L-Prolinamide, N-((1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-,hydrate (4:5)

Registry Numbers

CAS Registry Number

  • 79438-12-3

System Generated Number

  • 0079438123

Molecular Formulas

Molecular Formula

  • C17-H21-N7-O5.5/4H2-O

Molecular Formula Fragments

  • C17-H21-N7-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H21N7O5/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26/h6-8,11-12H,2-5H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29)/t11-,12-/m0/s1

InChIKey

MENMQXOWQAPYTE-RYUDHWBXSA-N

Smiles

Cn1c(=O)cc([nH]c1=O)C(=O)N[C@@H](Cc2cnc[nH]2)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.