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Substance Name: 3,7a-Diazacyclohepta(jk)fluoren-7(1H)-one, 2,3,3a,4,5,6-hexahydro-5,5-dimethyl-, (+-)-, (Z)-2-butenedioate (1:1)
RN: 87255-59-2
InChIKey: ABJVDDQNZCHFGS-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-N2-O.C4-H4-O4

Molecular Weight

  • 384.4296
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 87255-59-2

System Generated Number

  • 0087255592

Molecular Formulas

Molecular Formula

  • C17-H20-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C17-H20-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H20N2O.C4H4O4/c1-17(2)9-13-16-12(7-8-18-13)11-5-3-4-6-14(11)19(16)15(20)10-17;5-3(6)1-2-4(7)8/h3-6,13,18H,7-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ABJVDDQNZCHFGS-WLHGVMLRSA-N

Smiles

CC1(CC2c3c(c4ccccc4n3C(=O)C1)CCN2)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,