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Substance Name: 3,7a-Diazacyclohepta(jk)fluoren-7(1H)-one, 2,3,3a,4,5,6-hexahydro-6,6-dimethyl-3-(phenylmethyl)-, (+-)-, (Z)-2-butenedioate (1:1)
RN: 87255-69-4
InChIKey: MDDZSBJLFTWYDP-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H26-N2-O.C4-H4-O4

Molecular Weight

  • 474.554
 
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Names and Synonyms

  • 3,7a-Diazacyclohepta(jk)fluoren-7(1H)-one, 2,3,3a,4,5,6-hexahydro-6,6-dimethyl-3-(phenylmethyl)-, (+-)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 87255-69-4

System Generated Number

  • 0087255694

Molecular Formulas

Molecular Formula

  • C24-H26-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C24-H26-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H26N2O.C4H4O4/c1-24(2)14-12-21-22-19(13-15-25(21)16-17-8-4-3-5-9-17)18-10-6-7-11-20(18)26(22)23(24)27;5-3(6)1-2-4(7)8/h3-11,21H,12-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

MDDZSBJLFTWYDP-WLHGVMLRSA-N

Smiles

CC1(CCC2c3c(c4ccccc4n3C1=O)CCN2Cc5ccccc5)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 30mg/kg (30mg/kg)   United States Patent Document. Vol. #4425351,
mouse LD50 oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4425351,