8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3S,5S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)

CAS Registry Number®

1176-03-0

CAS Name

8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3S,5S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)

Molecular Formula

C17H21NO4.C4H6O6

Cite this Page

8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3S,5S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1176-03-0 (retrieved 2024-09-28) (CAS RN: 1176-03-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    139 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C17H21NO4.C4H6O6/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;5-1(3(7)8)2(6)4(9)10/h3-7,12-15H,8-10H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t12-,13+,14-,15-;1-,2-/m01/s1

InChIKey

InChIKey=MRJHQVZNBKASQN-GASYBUPXSA-N

SMILES

C(OC)(=O)[C@H]1[C@@]2(N(C)[C@](C[C@@H]1OC(=O)C3=CC=CC=C3)(CC2)[H])[H].[C@@H]([C@H](C(O)=O)O)(C(O)=O)O

Canonical SMILES

O=C(O)C(O)C(O)C(=O)O.O=C(OC1CC2N(C)C(CC2)C1C(=O)OC)C=3C=CC=CC3

Other Names for this Substance

  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3S,5S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
  • 1αH,5αH-Tropane-2α-carboxylic acid, 3β-hydroxy-, methyl ester, benzoate (ester), tartrate (1:1)
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, [1R-(2-endo,3-exo)]-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)
  • Pseudococaine, tartrate
  • Pseudococaine, tartrate (1:1)

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