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Substance Name: BRN 0632856
RN: 61197-96-4
InChIKey: AFJGSQRHEBXBJB-HEHNFIMWSA-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 0632856

Synonym

  • BRN 0632856

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 61197-96-4

System Generated Number

  • 0061197964

Structure Descriptors

InChI

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

InChIKey

AFJGSQRHEBXBJB-HEHNFIMWSA-N

Smiles

CCCN1CCN(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.