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Substance Name: Remikiren [INN]
RN: 126222-34-2
UNII: LC7FBL96A4
InChIKey: UXIGZRQVLGFTOU-VQXQMPIVSA-N

Classification Codes

  • Antihypertensive Agents
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Human Data
  • Protease Inhibitors

Molecular Formula

  • C33-H50-N4-O6-S

Molecular Weight

  • 630.846
 
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Names and Synonyms

Name of Substance

  • Remikiren
  • Remikiren [INN]

Synonyms

  • (alphaS)-alpha-((alphaS)-alpha-((tert-Butylsulfonyl)methyl)hydrocinnamamido)-N-((1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl)imidazole-4-propionamide
  • CCRIS 6519
  • Remikiren
  • Ro 42-5892
  • UNII-LC7FBL96A4

Systematic Names

  • (alphaS)-alpha-((alphaS)-alpha-((tert-Butylsulfonyl)methyl)hydrocinnamamido)-N-((1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl)imidazole-4-propionamide
  • 1H-Imidazole-4-propanamide, N-(1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl)-alpha-((2-(((1,1-dimethylethyl)sulfonyl)methyl)-1-oxo-3-phenylpropyl)amino)-, (1S-(1R*(R*(R*)),2S*,3R*))-
  • Remikiren

Registry Numbers

CAS Registry Number

  • 126222-34-2

FDA UNII

  • LC7FBL96A4

Other Registry Number

  • 135669-48-6

System Generated Number

  • 0126222342

Structure Descriptors

InChI

1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1

InChIKey

UXIGZRQVLGFTOU-VQXQMPIVSA-N

Smiles

CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)C4CC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 23mg/kg (23mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Clinical Pharmacology and Therapeutics Vol. 53, Pg. 585, 1993.