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Substance Name: Thiourea, N,N''-(6,12-diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)-
RN: 130189-65-0
InChIKey: SJRBNEXVVNAXFN-ZCBDVZAGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H34-N6-S2

Molecular Weight

  • 686.9046
 
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Names and Synonyms

Synonyms

  • 2,8-Di(N1-methylphenylthiourea-N3-yl)-6,12-diphenyldibenzo(b,f)(1,5)diazocine
  • BRN 4223249
  • N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea)

Systematic Name

  • Thiourea, N,N''-(6,12-diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)-

Registry Numbers

CAS Registry Number

  • 130189-65-0

System Generated Number

  • 0130189650

Structure Descriptors

InChI

1S/C42H34N6S2/c1-27-13-17-31(18-14-27)43-41(49)45-33-21-23-37-35(25-33)39(29-9-5-3-6-10-29)48-38-24-22-34(46-42(50)44-32-19-15-28(2)16-20-32)26-36(38)40(47-37)30-11-7-4-8-12-30/h3-26H,1-2H3,(H2,43,45,49)(H2,44,46,50)/b39-35-,40-36-,47-37-,47-40-,48-38-,48-39-

InChIKey

SJRBNEXVVNAXFN-ZCBDVZAGSA-N

Smiles

Cc1ccc(cc1)NC(=S)Nc2cc/3c(cc2)/N=C(\c4c(ccc(c4)NC(=S)Nc5ccc(cc5)C)/N=C3/c6ccccc6)/c7ccccc7

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of the Indian Chemical Society. Vol. 67, Pg. 48, 1990.