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Substance Name: 5H,16H-Dibenzo(c,c')(1,4,7,10,13,16)hexaoxacyclooctadecino(2,3-h:12,11-h')bis(1)benzazepine-5,16,21,32(6H,22H)-tetrone, 9,10,12,13,25,26,28,29-octahydro-
RN: 106000-49-1
InChIKey: SLANIPXAHXNEKK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H30-N2-O10

Molecular Weight

  • 650.637
 
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Names and Synonyms

Synonyms

  • (E)-5,6,16,17-Tetrahydro-5,17,22,32-tetraoxodibenzo(c)azepino(6,7-b;6,7-p)dibenzo-18-crown-6
  • BRN 4835429

Systematic Name

  • 5H,16H-Dibenzo(c,c')(1,4,7,10,13,16)hexaoxacyclooctadecino(2,3-h:12,11-h')bis(1)benzazepine-5,16,21,32(6H,22H)-tetrone, 9,10,12,13,25,26,28,29-octahydro-

Registry Numbers

CAS Registry Number

  • 106000-49-1

System Generated Number

  • 0106000491

Structure Descriptors

InChI

1S/C36H30N2O10/c39-33-21-5-1-3-7-23(21)35(41)37-27-19-31-29(17-25(27)33)45-13-9-43-10-14-46-30-18-26-28(20-32(30)48-16-12-44-11-15-47-31)38-36(42)24-8-4-2-6-22(24)34(26)40/h1-8,17-20H,9-16H2,(H,37,41)(H,38,42)

InChIKey

SLANIPXAHXNEKK-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(=O)c3cc4c(cc3[nH]c2=O)OCCOCCOc5cc6c(cc5OCCOCCO4)c(=O)c7ccccc7c(=O)[nH]6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 259, 1987.