8-Azabicyclo[3.2.1]octane, 3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-, (1R,2R,3S,5S)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)

CAS Registry Number®

195875-86-6
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CAS Name

8-Azabicyclo[3.2.1]octane, 3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-, (1R,2R,3S,5S)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)

Molecular Formula

C17H23Cl2NO.xC6H8O7

Cite this Page

8-Azabicyclo[3.2.1]octane, 3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-, (1R,2R,3S,5S)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:?).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=195875-86-6 (retrieved 2024-06-26) (CAS RN: 195875-86-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H23Cl2NO.C6H8O7/c1-3-21-10-14-13(9-12-5-7-17(14)20(12)2)11-4-6-15(18)16(19)8-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,6,8,12-14,17H,3,5,7,9-10H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t12-,13+,14+,17+;/m0./s1

InChIKey

InChIKey=ZIVJUFNVDKADJT-BEDQTAKTSA-N

SMILES

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

Canonical SMILES

O=C(O)CC(O)(C(=O)O)CC(=O)O.ClC1=CC=C(C=C1Cl)C2CC3N(C)C(CC3)C2COCC

Other Names for this Substance

  • 8-Azabicyclo[3.2.1]octane, 3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-, (1R,2R,3S,5S)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)
  • 8-Azabicyclo[3.2.1]octane, 3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-, [1R-(2-endo,3-exo)]-, 2-hydroxy-1,2,3-propanetricarboxylate
  • 8-Azabicyclo[3.2.1]octane, 3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-, (1R,2R,3S,5S)-, 2-hydroxy-1,2,3-propanetricarboxylate
  • Tesofensine citrate

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