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Substance Name: 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N,N'-(2-butynylene)bis-
RN: 73806-09-4
InChIKey: PHDHWFLOCQBQQA-UHFFFAOYSA-N

Molecular Formula

  • C20-H20-N2-O6

Molecular Weight

  • 384.386
 
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Names and Synonyms

Synonyms

  • 1,4-Bis(endothalimido)-2-butyne
  • N,N'-(2-Butynylene)bis(3,6-endoxohexahydrophthalimide)
  • NSC 191831
  • Phthalimide, N,N'-(2-butynylene)bis(3,6-endoxohexahydro-

Systematic Names

  • 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 2,2'-(2-butyne-1,4-diyl)bis(hexahydro- (9CI)
  • 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N,N'-(2-butynylene)bis-

Registry Numbers

CAS Registry Number

  • 73806-09-4

System Generated Number

  • 0073806094

Structure Descriptors

InChI

1S/C20H20N2O6/c23-17-13-9-3-4-10(27-9)14(13)18(24)21(17)7-1-2-8-22-19(25)15-11-5-6-12(28-11)16(15)20(22)26/h9-16H,3-8H2

InChIKey

PHDHWFLOCQBQQA-UHFFFAOYSA-N

Smiles

C1[C@@H]2[C@@H]3[C@@H](C(N(C3=O)CC#CCN3C([C@@H]4[C@@H]5CC[C@@H]([C@@H]4C3=O)O5)=O)=O)[C@@H](C1)O2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05054,