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Substance Name: 1H-Xanthene-1,8(2H)-dione, 3,4,4a,5,6,7,9,9a-octahydro-4a-hydroxy-9-(2-nitrophenyl)-3,3,7,7-tetramethyl-
RN: 102585-10-4
InChIKey: RMBAKDZFXBUNNR-UHFFFAOYSA-N

Molecular Formula

  • C23-H27-N-O6

Molecular Weight

  • 413.4673
 
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Names and Synonyms

  • 1H-Xanthene-1,8(2H)-dione, 3,4,4a,5,6,7,9,9a-octahydro-4a-hydroxy-9-(2-nitrophenyl)-3,3,7,7-tetramethyl-

Registry Numbers

CAS Registry Number

  • 102585-10-4

System Generated Number

  • 0102585104

Structure Descriptors

InChI

1S/C23H27NO6/c1-21(2)11-15(25)19-17(13-7-5-6-8-14(13)24(28)29)18-16(30-23(19,27)12-21)9-10-22(3,4)20(18)26/h5-8,17,19,27H,9-12H2,1-4H3

InChIKey

RMBAKDZFXBUNNR-UHFFFAOYSA-N

Smiles

CC1(CCC2=C(C1=O)C(C3C(=O)CC(CC3(O2)O)(C)C)c4ccccc4[N+](=O)[O-])C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1800ug/kg (1.8mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09395,