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Substance Name: 11H-Dibenzo(b,e)(1,4)dioxepin-7-carboxylic acid, 3,8-dihydroxy-1-pentoxymethyl-6-pentyl-11-oxo-
RN: 73927-67-0
InChIKey: KPZRCJGOBJJSNO-UHFFFAOYSA-N

Molecular Formula

  • C25-H30-O8

Molecular Weight

  • 458.504
 
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Names and Synonyms

  • 11H-Dibenzo(b,e)(1,4)dioxepin-7-carboxylic acid, 3,8-dihydroxy-1-pentoxymethyl-6-pentyl-11-oxo-

Registry Numbers

CAS Registry Number

  • 73927-67-0

System Generated Number

  • 0073927670

Structure Descriptors

InChI

1S/C25H30O8/c1-3-5-7-9-17-22(24(28)29)18(27)13-20-23(17)32-19-12-16(26)11-15(21(19)25(30)33-20)14-31-10-8-6-4-2/h11-13,26-27H,3-10,14H2,1-2H3,(H,28,29)

InChIKey

KPZRCJGOBJJSNO-UHFFFAOYSA-N

Smiles

c12c(c(c(O)cc1OC(=O)c1c(O2)cc(O)cc1COCCCCC)C(O)=O)CCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03322,