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Substance Name: Benzoic acid, 3,4-dimethoxy-, 1,2,3,3-tetramethyl-2-azabicyclo(2.2.2)oct-5-yl ester, (1-alpha,4-alpha,5-alpha)-
RN: 75479-59-3
InChIKey: IVHLCWIIYAJLKJ-ZTQAJYAQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-N-O4

Molecular Weight

  • 347.4521
 
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Names and Synonyms

Synonym

  • 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate

Systematic Name

  • Benzoic acid, 3,4-dimethoxy-, 1,2,3,3-tetramethyl-2-azabicyclo(2.2.2)oct-5-yl ester, (1-alpha,4-alpha,5-alpha)-

Registry Numbers

CAS Registry Number

  • 75479-59-3

System Generated Number

  • 0075479593

Structure Descriptors

InChI

1S/C20H29NO4/c1-19(2)14-9-10-20(3,21(19)4)12-17(14)25-18(22)13-7-8-15(23-5)16(11-13)24-6/h7-8,11,14,17H,9-10,12H2,1-6H3/t14-,17-,20+/m1/s1

InChIKey

IVHLCWIIYAJLKJ-ZTQAJYAQSA-N

Smiles

C[C@]12CC[C@H]([C@@H](C1)OC(=O)c3ccc(c(c3)OC)OC)C(N2C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 10mg/kg (10mg/kg)   Farmaco, Edizione Scientifica. Vol. 35, Pg. 551, 1980.