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Substance Name: Pksi 527
RN: 128837-71-8
InChIKey: NAXNMKUKSBHHMP-JLBKCEDKSA-N

Molecular Formula

  • C25-H25-N3-O4.Cl-H

Molecular Weight

  • 473.9978
 
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Names and Synonyms

Name of Substance

  • Pksi 527

Synonym

  • PKSI-0527

Systematic Name

  • Benzeneacetic acid, 4-((2-(((4-(aminomethyl)cyclohexyl)carbonyl)amino)-1-oxo-3-phenylpropyl)amino)-, monohydrochloride, (1(S)-trans)-

Registry Numbers

CAS Registry Number

  • 128837-71-8

System Generated Number

  • 0128837718

Molecular Formulas

Molecular Formula

  • C25-H25-N3-O4.Cl-H

Molecular Formula Fragments

  • C25-H25-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31N3O4.ClH/c26-16-19-6-10-20(11-7-19)24(31)28-22(14-17-4-2-1-3-5-17)25(32)27-21-12-8-18(9-13-21)15-23(29)30;/h1-5,8-9,12-13,19-20,22H,6-7,10-11,14-16,26H2,(H,27,32)(H,28,31)(H,29,30);1H/t19-,20-,22-;/m0./s1

InChIKey

NAXNMKUKSBHHMP-JLBKCEDKSA-N

Smiles

c1ccc(cc1)C[C@H](NC(=O)[C@H]2CC[C@@H](CC2)CN)C(=O)Nc3ccc(cc3)CC(=O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 100mg/kg (100mg/kg)   Advances in Experimental Medicine and Biology. Vol. 247B, Pg. 29, 1989.