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Substance Name: Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1r-(1-alpha,3-beta,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
RN: 153321-66-5
InChIKey: YZOHSCDGIHXLAQ-BPNKVWISSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H31-N-O.C6-H8-O7

Molecular Weight

  • 445.5491
 
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Names and Synonyms

  • Ethanamine, N,N-diethyl-2-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-, (1r-(1-alpha,3-beta,4-beta,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 153321-66-5

System Generated Number

  • 0153321665

Molecular Formulas

Molecular Formula

  • C16-H31-N-O.C6-H8-O7

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C16H31NO.C6H8O7/c1-6-17(7-2)8-9-18-15-11-14-13(10-12(15)3)16(14,4)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

YZOHSCDGIHXLAQ-BPNKVWISSA-N

Smiles

CCN(CC)CCO[C@@H]1C[C@@H]2[C@H](C2(C)C)C[C@@H]1C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 80mg/kg (80mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 44, Pg. 187, 1992.