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Substance Name: L-Prolinamide, N-((hexahydro-1-butyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, hydrate
RN: 128056-06-4
InChIKey: TWGVFEWQAQUOKJ-KKUMJFAQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-N7-O5.H2-O

Molecular Weight

  • 447.4931
 
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Names and Synonyms

Synonym

  • N-((Hexahydro-1-butyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 128056-06-4

System Generated Number

  • 0128056064

Molecular Formulas

Molecular Formula

  • C20-H29-N7-O5.H2-O

Molecular Formula Fragments

  • C20-H29-N7-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H29N7O5/c1-2-3-6-27-16(28)9-13(25-20(27)32)18(30)24-14(8-12-10-22-11-23-12)19(31)26-7-4-5-15(26)17(21)29/h10-11,13-15H,2-9H2,1H3,(H2,21,29)(H,22,23)(H,24,30)(H,25,32)/t13-,14-,15-/m0/s1

InChIKey

TWGVFEWQAQUOKJ-KKUMJFAQSA-N

Smiles

CCCCN1C(=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 LDLo intravenous 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 2130, 1990.