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Substance Name: Ethanamine, N,N-diethyl-2-((4,7,7-trimethyl-6-oxabicyclo(3.2.1)oct-3-yl)oxy)-, (1r-(3-exo,4-endo))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
RN: 153222-87-8
InChIKey: ZHSQYLKQNIKDNR-YYYLQXIUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H31-N-O2.C6-H8-O7

Molecular Weight

  • 461.5481
 
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Names and Synonyms

  • Ethanamine, N,N-diethyl-2-((4,7,7-trimethyl-6-oxabicyclo(3.2.1)oct-3-yl)oxy)-, (1r-(3-exo,4-endo))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 153222-87-8

System Generated Number

  • 0153222878

Molecular Formulas

Molecular Formula

  • C16-H31-N-O2.C6-H8-O7

Molecular Formula Fragments

  • C16-H31-N-O2
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C16H31NO2.C6H8O7/c1-6-17(7-2)8-9-18-14-10-13-11-15(12(14)3)19-16(13,4)5;7-3(8)1-6(13,5(11)12)2-4(9)10/h12-15H,6-11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t12-,13-,14+,15-;/m0./s1

InChIKey

ZHSQYLKQNIKDNR-YYYLQXIUSA-N

Smiles

CCN(CC)CCO[C@@H]1C[C@H]2C[C@@H]([C@H]1C)OC2(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 820mg/kg (820mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 44, Pg. 187, 1992.
rat LD50 intravenous 150mg/kg (150mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 44, Pg. 187, 1992.