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Substance Name: Butanoic acid, 4-((2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl)thio)-, ethyl ester
RN: 87049-53-4
InChIKey: AUBUPDBGJDBWTK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-Cl2-N2-O3-S

Molecular Weight

  • 417.3548
 
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Names and Synonyms

Synonym

  • Ethyl 4-(2-(2,4-dichlorophenyl)-2-hydroxy-3-(imidazol-1-yl)propylthio)butyrate

Systematic Name

  • Butanoic acid, 4-((2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)propyl)thio)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 87049-53-4

System Generated Number

  • 0087049534

Structure Descriptors

InChI

1S/C18H22Cl2N2O3S/c1-2-25-17(23)4-3-9-26-12-18(24,11-22-8-7-21-13-22)15-6-5-14(19)10-16(15)20/h5-8,10,13,24H,2-4,9,11-12H2,1H3

InChIKey

AUBUPDBGJDBWTK-UHFFFAOYSA-N

Smiles

CCOC(=O)CCCSCC(Cn1ccnc1)(c2ccc(cc2Cl)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 500mg/kg (500mg/kg)   European Patent Application. Vol. #0077037,