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Substance Name: L-Prolinamide, N-((hexahydro-1-octadecyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-,monoacetate, hydrate (2:3)
RN: 128056-09-7
InChIKey: ODKBRUFCGOJSGR-BJRQXHFHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H57-N7-O5.3/2H2-O

Molecular Weight

  • 703.9199
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 128056-09-7

System Generated Number

  • 0128056097

Molecular Formulas

Molecular Formula

  • C34-H57-N7-O5.3/2H2-O

Molecular Formula Fragments

  • C34-H57-N7-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C34H57N7O5.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-41-30(42)23-27(39-34(41)46)32(44)38-28(22-26-24-36-25-37-26)33(45)40-21-18-19-29(40)31(35)43;1-2(3)4/h24-25,27-29H,2-23H2,1H3,(H2,35,43)(H,36,37)(H,38,44)(H,39,46);1H3,(H,3,4)/t27-,28-,29-;/m0./s1

InChIKey

ODKBRUFCGOJSGR-BJRQXHFHSA-N

Smiles

CCCCCCCCCCCCCCCCCCN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N3CCC[C@H]3C(=O)N.CC(=O)O

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.