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Substance Name: 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-(dimethylamino)-1-phenyl-8-(trifluoromethyl)-
RN: 36985-47-4
InChIKey: JPKQTZQKHUBTAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-F3-N3-O

Molecular Weight

  • 347.338
 
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Names and Synonyms

Synonyms

  • 4-(Dimethylamino)-1-phenyl-8-(trifluoromethyl)-2H-1,3-dihydro-(1,5)-benzodiazepine-2-one
  • 5-25-15-00138 (Beilstein Handbook Reference)
  • BRN 0897186

Systematic Name

  • 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-(dimethylamino)-1-phenyl-8-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 36985-47-4

System Generated Number

  • 0036985474

Structure Descriptors

InChI

1S/C18H16F3N3O/c1-23(2)16-11-17(25)24(13-6-4-3-5-7-13)15-10-12(18(19,20)21)8-9-14(15)22-16/h3-10H,11H2,1-2H3

InChIKey

JPKQTZQKHUBTAW-UHFFFAOYSA-N

Smiles

N1(c2c(N=C(CC1=O)N(C)C)ccc(c2)C(F)(F)F)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1200mg/kg (1200mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1011, 1973.