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Substance Name: L-Proline, 1-(N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl)-phenylmethyl ester, monohydrochloride, (S)-, hydrate
RN: 103365-70-4
InChIKey: QGMXVHLJWZVQGD-RNWZVXGDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H28-N6-O6.Cl-H.H2-O

Molecular Weight

  • 553.0127
 
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Names and Synonyms

  • L-Proline, 1-(N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl)-phenylmethyl ester, monohydrochloride, (S)-, hydrate

Registry Numbers

CAS Registry Number

  • 103365-70-4

System Generated Number

  • 0103365704

Molecular Formulas

Molecular Formula

  • C24-H28-N6-O6.Cl-H.H2-O

Molecular Formula Fragments

  • C24-H28-N6-O6
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H30N6O6.ClH.H2O/c1-30-19(31)11-18(29-23(30)35)21(33)28-17(10-15-12-25-14-27-15)20(32)24(7-3-2-4-8-24)13-36-22(34)16-6-5-9-26-16;;/h2-4,7,12,14,16-18,26H,5-6,8-11,13H2,1H3,(H,25,27)(H,28,33)(H,29,35);1H;1H2/t16-,17-,18-,24?;;/m0../s1

InChIKey

QGMXVHLJWZVQGD-RNWZVXGDSA-N

Smiles

CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)C3(CC=CC=C3)COC(=O)[C@@H]4CCCN4.O.Cl

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.