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Substance Name: Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-
RN: 74872-43-8
InChIKey: QSYQGCPZKJEXGY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-F-N4-O2

Molecular Weight

  • 382.4367
 
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Names and Synonyms

Synonym

  • 1-tert-Butyl-3-(5-(o-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)urea

Systematic Name

  • Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-

Registry Numbers

CAS Registry Number

  • 74872-43-8

System Generated Number

  • 0074872438

Structure Descriptors

InChI

1S/C21H23FN4O2/c1-21(2,3)25-20(28)24-13-9-10-17-15(11-13)19(23-12-18(27)26(17)4)14-7-5-6-8-16(14)22/h5-11H,12H2,1-4H3,(H2,24,25,28)

InChIKey

QSYQGCPZKJEXGY-UHFFFAOYSA-N

Smiles

CC(C)(C)NC(=O)Nc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg)   United States Patent Document. Vol. #4294758,