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Substance Name: BRN 0632855
RN: 61197-78-2
InChIKey: PHDXRFOMFMQIHJ-LTGZKZEYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H26-Cl-N5-O

Molecular Weight

  • 447.9674
 
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Names and Synonyms

Results Name

  • BRN 0632855

Synonym

  • BRN 0632855

Systematic Name

  • 1H-Imidazo(1,2-a)(1,4)benzodiazepin-1-one, 2,4-dihydro-8-chloro-2-((4-(1-methylethyl)-1-piperazinyl)methylene)-6-phenyl-

Registry Numbers

CAS Registry Number

  • 61197-78-2

System Generated Number

  • 0061197782

Structure Descriptors

InChI

1S/C25H26ClN5O/c1-17(2)30-12-10-29(11-13-30)16-21-25(32)31-22-9-8-19(26)14-20(22)24(27-15-23(31)28-21)18-6-4-3-5-7-18/h3-9,14,16-17H,10-13,15H2,1-2H3/b21-16+

InChIKey

PHDXRFOMFMQIHJ-LTGZKZEYSA-N

Smiles

CC(C)N1CCN(CC1)/C=C/2\C(=O)N3c4ccc(cc4C(=NCC3=N2)c5ccccc5)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1035, 1977.